57925516 -OEChem-05112403472D 76 79 0 1 0 0 0 0 0999 V2000 3.3660 6.2320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 4.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3660 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 2.3660 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3301 -2.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -5.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -5.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -4.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -4.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -4.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -4.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 -4.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -6.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4378 -0.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7475 -0.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 -1.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 -1.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 0.9737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.9737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 -1.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 -1.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2225 -2.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9127 -2.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 3.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.9737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.6760 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 7.7522 5.9030 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 8.3722 4.8291 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 6.6962 -5.3520 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 7.3162 -4.7320 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 6.6962 -4.1120 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.5611 -3.9220 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.7881 -4.7690 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 3.4081 -3.6951 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 4.8301 -6.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 23 1 0 0 0 0 4 34 1 0 0 0 0 5 24 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 24 1 0 0 0 0 9 31 2 0 0 0 0 9 38 1 0 0 0 0 10 32 1 0 0 0 0 10 38 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 18 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 19 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 22 1 1 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 1 6 0 0 0 21 25 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 31 1 0 0 0 0 26 32 2 0 0 0 0 27 29 1 0 0 0 0 27 63 1 0 0 0 0 28 30 2 0 0 0 0 28 64 1 0 0 0 0 29 33 2 0 0 0 0 29 65 1 0 0 0 0 30 33 1 0 0 0 0 30 66 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 38 76 1 0 0 0 0 M ISO 8 67 2 68 2 69 2 70 2 71 2 72 2 73 2 74 2 M ISO 1 75 2 M END > 57925516 > 1 > 773 > 9 > 0 > 6 > AAADcfB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAABwAAAHwAAAAAADKjhnhY3kJcIFACoAyVzdACCgCk1AKAJ2CE4RNiKaDrA2dGVJYhsxgPYyWeQwOAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > [4,6-bis(trideuteriomethyl)pyrimidin-5-yl]-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-1-piperidyl]methanone > [4,6-bis(trideuteriomethyl)-5-pyrimidinyl]-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]-1-piperidinyl]methanone > [4,6-bis(trideuteriomethyl)pyrimidin-5-yl]-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone > [4,6-bis(trideuteriomethyl)pyrimidin-5-yl]-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone > [4,6-bis(trideuteriomethyl)pyrimidin-5-yl]-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone > [4,6-bis(trideuteriomethyl)pyrimidin-5-yl]-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazino]piperidino]methanone > InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1/i2D3,3D3,5D3 > CNPVJJQCETWNEU-MBIXCAEGSA-N > 3.7 > 542.35425067 > C28H38F3N5O2 > 542.7 > CC1CN(CCN1C(COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C > [2H]C([2H])([2H])C1=C(C(=NC=N1)C([2H])([2H])[2H])C(=O)N2CCC(CC2)(C)N3CCN([C@H](C3)C)[C@@H](COC([2H])([2H])[2H])C4=CC=C(C=C4)C(F)(F)F > 61.8 > 542.35425067 > 0 > 38 > 2 > 0 > 0 > 0 > 9 > 1 > -1 > 1 5 255 > 10 32 8 10 38 8 15 22 5 21 23 6 25 27 8 25 28 8 26 31 8 26 32 8 27 29 8 28 30 8 29 33 8 30 33 8 9 31 8 9 38 8 $$$$