A49 Mrv0541 02241213212D 32 35 0 0 0 0 999 V2000 -3.7897 2.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 1.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7082 1.0739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 0.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8885 0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 1.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8938 1.0739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2618 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4865 1.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7505 0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9753 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3433 0.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 0.2274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5752 -0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2931 -1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 -1.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9207 1.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8392 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2464 0.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9825 -0.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7577 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1649 -0.3710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8828 -1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4471 0.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 -0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 -0.9353 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 0.1221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 -1.4284 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 8 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 10 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 16 15 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 20 18 1 0 0 0 0 20 21 1 0 0 0 0 22 21 2 0 0 0 0 23 20 2 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 25 22 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 1 0 0 0 29 26 1 0 0 0 0 29 32 1 0 0 0 0 30 29 1 0 0 0 0 31 29 1 0 0 0 0 M END > DB07316 > drugbank > C[C@](O)(C1=CC=C(C=C1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C(N)=O)CC1)C(F)(F)F > InChI=1S/C23H30F3N3O3/c1-21(32,23(24,25)26)16-4-2-15(3-5-16)19(30)29(17-6-7-17)18-8-12-28(13-9-18)14-22(10-11-22)20(27)31/h2-5,17-18,32H,6-14H2,1H3,(H2,27,31)/t21-/m0/s1 > FAVXIEFZKPJZRT-NRFANRHFSA-N > C23H30F3N3O3 > 453.4978 > 453.223926456 > 4 > 62 > 0.992348700865099 > 45.34673593166727 > 1 > 2 > 0 > 1 > N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide > 2.01 > 1.6992275921965876 > -4.01 > 1 > 1 > 4 > 1 > 15.96234752829652 > 10.704574253840295 > 9.124688108750298 > 86.87000000000002 > 114.046 > 8 > 1 > 4.42e-02 g/l > tetrahydrofolic acid > 0 > DB07316 > experimental > N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide $$$$