68692103 -OEChem-04262415322D 72 75 0 1 0 0 0 0 0999 V2000 2.8680 -0.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5891 -4.8184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2641 -1.7306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1301 -3.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2071 -4.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8981 -5.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8981 -5.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 5.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 5.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 -3.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5287 -3.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5287 -0.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 -0.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -3.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -2.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -1.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -1.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -2.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7735 -5.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5171 -4.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 -6.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5045 -5.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2916 -5.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9629 -6.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 3.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -0.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 2.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 3.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 4.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 4.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 4.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 4.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 2.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 3.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 1.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4822 5.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 6.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2422 5.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 5.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 6.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 5.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.5499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -0.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 34 1 0 0 0 0 2 29 2 0 0 0 0 9 3 1 1 0 0 0 3 15 1 0 0 0 0 3 45 1 0 0 0 0 10 4 1 1 0 0 0 4 17 1 0 0 0 0 4 46 1 0 0 0 0 5 15 2 0 0 0 0 5 19 1 0 0 0 0 6 17 2 0 0 0 0 6 23 1 0 0 0 0 7 21 1 0 0 0 0 7 23 2 0 0 0 0 8 25 1 0 0 0 0 8 29 1 0 0 0 0 8 62 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 28 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 22 53 1 0 0 0 0 23 29 1 0 0 0 0 24 30 2 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 32 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 33 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 31 2 0 0 0 0 28 61 1 0 0 0 0 30 31 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 M END > 68692103 > 1 > 684 > 6 > 3 > 10 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAQAAAAA8YIAAAAAAAACx8AAAHgAQAAAADSzBnwYz9vbIFACoAydydACCiCkjIqAJmKC+bJiMbqLE+fuUNChs1hPI6CewwBAOAEABAAACAAAAgAIAAAQAQAAAAAAAAA== > 4-[[(1S,2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)cyclohexyl]amino]-N-(2-ethylbutyl)-6-methoxy-quinazoline-2-carboxamide > 4-[[(1S,2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)cyclohexyl]amino]-N-(2-ethylbutyl)-6-methoxy-2-quinazolinecarboxamide > 4-[[(1S,2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)cyclohexyl]amino]-N-(2-ethylbutyl)-6-methoxyquinazoline-2-carboxamide > 4-[[(1S,2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)cyclohexyl]amino]-N-(2-ethylbutyl)-6-methoxyquinazoline-2-carboxamide > 4-[[(1S,2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)cyclohexyl]amino]-N-(2-ethylbutyl)-6-methoxy-quinazoline-2-carboxamide > N-(2-ethylbutyl)-6-methoxy-4-[[(1S,2R)-2-(1-pyrrolin-2-ylamino)cyclohexyl]amino]quinazoline-2-carboxamide > InChI=1S/C26H38N6O2/c1-4-17(5-2)16-28-26(33)25-30-20-13-12-18(34-3)15-19(20)24(32-25)31-22-10-7-6-9-21(22)29-23-11-8-14-27-23/h12-13,15,17,21-22H,4-11,14,16H2,1-3H3,(H,27,29)(H,28,33)(H,30,31,32)/t21-,22+/m1/s1 > NXEFSDVYXNKJTE-YADHBBJMSA-N > 4.1 > 466.30562448 > C26H38N6O2 > 466.6 > CCC(CC)CNC(=O)C1=NC2=C(C=C(C=C2)OC)C(=N1)NC3CCCCC3NC4=NCCC4 > CCC(CC)CNC(=O)C1=NC2=C(C=C(C=C2)OC)C(=N1)N[C@H]3CCCC[C@H]3NC4=NCCC4 > 101 > 466.30562448 > 0 > 34 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 20 8 20 21 8 20 24 8 21 28 8 24 30 8 28 31 8 9 3 5 30 31 8 10 4 5 6 17 8 6 23 8 7 21 8 7 23 8 $$$$