9938402 -OEChem-05132403462D 83 88 0 1 0 0 0 0 0999 V2000 3.8000 2.6100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.3420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7337 2.4465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.8900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3918 3.9247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7282 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2282 1.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2282 -0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2282 1.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2282 1.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2282 -0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7282 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.3900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1349 3.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5258 3.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.3900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6660 -1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3482 0.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 1.5849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 1.5849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9403 -0.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3388 -0.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3359 2.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6456 1.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6456 -0.4681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3359 -0.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7032 1.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7032 1.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7841 1.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3856 0.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 -1.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 -1.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8108 1.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1206 2.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1206 -0.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8108 -0.4681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2032 0.2114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2032 1.0085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -0.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7414 3.3845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 0.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 1.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -0.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9594 3.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -2.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -1.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -1.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -3.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.0100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -4.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -4.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 0.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 22 2 0 0 0 0 3 28 2 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 6 26 2 0 0 0 0 23 7 1 6 0 0 0 7 28 1 0 0 0 0 7 68 1 0 0 0 0 8 24 2 0 0 0 0 8 26 1 0 0 0 0 9 29 1 0 0 0 0 9 34 1 0 0 0 0 9 73 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 43 1 0 0 0 0 12 17 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 18 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 19 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 20 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 21 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 25 27 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 69 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 29 28 1 6 0 0 0 29 30 1 0 0 0 0 29 70 1 0 0 0 0 30 33 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 36 1 0 0 0 0 31 74 1 0 0 0 0 32 37 2 0 0 0 0 32 75 1 0 0 0 0 33 35 1 0 0 0 0 33 38 2 0 0 0 0 34 35 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 39 2 0 0 0 0 36 40 2 0 0 0 0 36 78 1 0 0 0 0 37 40 1 0 0 0 0 37 79 1 0 0 0 0 38 41 1 0 0 0 0 38 80 1 0 0 0 0 39 42 1 0 0 0 0 39 81 1 0 0 0 0 41 42 2 0 0 0 0 41 82 1 0 0 0 0 42 83 1 0 0 0 0 M END > 9938402 > 1 > 899 > 5 > 2 > 8 > AAADcfB/sAAEAAAAAAAAAAAAAAAAAWAAAAA8eMECAAAAAACx0AAAHgIYAAAADyrBmCQ1EIfIEACqAiFTNACSAAswhYAdyIGIBoiIaDKBmzGUIAholgKIiAcYiMCPhAAAAAAQAAAIAAAAACAAAAAAAAAAAA== > (3R)-N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)-1-piperidyl]-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > (3R)-N-[(1R)-1-(4-chlorobenzyl)-2-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidino]-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 > HLCHESOMJVGDSJ-LOYHVIPDSA-N > 5.9 > 588.2979523 > C33H41ClN6O2 > 589.2 > C1CCC(CC1)C2(CCN(CC2)C(=O)C(CC3=CC=C(C=C3)Cl)NC(=O)C4CC5=CC=CC=C5CN4)CN6C=NC=N6 > C1CCC(CC1)C2(CCN(CC2)C(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@H]4CC5=CC=CC=C5CN4)CN6C=NC=N6 > 92.2 > 588.2979523 > 0 > 42 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 31 8 27 32 8 29 28 6 31 36 8 32 37 8 33 35 8 33 38 8 35 39 8 36 40 8 37 40 8 38 41 8 39 42 8 41 42 8 5 24 8 5 6 8 6 26 8 23 7 6 8 24 8 8 26 8 $$$$