Mrv1652306131722022D 34 38 0 0 0 0 999 V2000 -1.5271 1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 2.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6987 2.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0483 2.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 3.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7541 3.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4044 2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5825 2.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 3.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2329 1.9551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5891 1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9387 1.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7607 1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 1.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8834 2.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 2.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 3.1662 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5273 2.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4046 0.9244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2295 0.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7367 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5591 0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8749 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2476 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5441 -0.5377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7969 -0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0576 -0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4466 -1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9256 4.3385 0.0000 F 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 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 11 16 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 22 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 20 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 28 33 1 0 0 0 0 5 34 1 0 0 0 0 M END > DB06666 > drugbank > CC1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)N2CC3=CC=CN3CC3=C2C=CC=C3)C(Cl)=C1 > InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33) > PPHTXRNHTVLQED-UHFFFAOYSA-N > C27H21ClFN3O2 > 473.93 > 473.1306328 > 2 > 55 > 49.245450671367514 > 1 > 1 > 0 > 0 > N-(3-chloro-4-{3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),4,6,11,13-pentaene-9-carbonyl}phenyl)-5-fluoro-2-methylbenzamide > 4.99 > 5.980511218666667 > -6.01 > 0 > 5 > 0 > 12.373290206635257 > -3.0793544354857127 > 54.34 > 133.00349999999997 > 3 > 0 > 4.67e-04 g/l > N-(3-chloro-4-{3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),4,6,11,13-pentaene-9-carbonyl}phenyl)-5-fluoro-2-methylbenzamide > 0 > DB06666 > investigational > Lixivaptan > Lixivaptan $$$$