Mrv1652310201623142D 33 36 0 0 1 0 999 V2000 0.3336 0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1586 0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5711 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3961 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8086 0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3961 1.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5711 1.5023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8086 2.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6336 2.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0461 1.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6336 0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0461 0.0734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6336 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0461 -1.3556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4586 -2.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2836 -2.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2836 -1.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1086 -2.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2836 -2.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9981 -3.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9981 -4.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2836 -4.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -4.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -3.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7845 -3.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 -3.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7845 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7126 -4.5451 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3316 -1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6172 -2.1806 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7441 -2.4826 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9191 -1.0536 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7606 -0.9431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 23 27 1 0 0 0 0 21 28 1 0 0 0 0 14 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 14 33 1 1 0 0 0 M END > DB12041 > drugbank > CC1=CC=C2C(NC[C@](O)(CC(C)(C)C3=CC(F)=CC4=C3OCC4)C(F)(F)F)=CC=CC2=N1 > InChI=1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m1/s1 > VJGFOYBQOIPQFY-XMMPIXPASA-N > C25H26F4N2O2 > 462.489 > 462.193040737 > 4 > 59 > 45.38282313251606 > 1 > 2 > 0 > 1 > (2R)-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)pentan-2-ol > 4.99 > 5.0532671570000005 > -5.14 > 1 > 4 > 0 > 18.50961444915319 > 10.862947428440808 > 5.811582539416605 > 54.38000000000001 > 119.04830000000001 > 7 > 0 > 3.37e-03 g/l > mapracorat > 0 > DB12041 > investigational > Mapracorat > Mapracorat $$$$