General Information of the Compound
| Compound ID |
CP0541664
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| Compound Name |
(R,S)-1-(6-((R)-3-methyl-4-(6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazol-2-yl)piperazin-1-yl)-5-(trifluoromethyl)pyridin-3-yl)ethanol
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| Structure |
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| Formula |
C27H22F9N5O
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| Molecular Weight |
603.489
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| Canonical SMILES |
CC(O)c1cnc(N2CCN([C@H](C)C2)c2nc3c(cc(cc3[nH]2)C(F)(F)F)-c2cc(F)c(F)c(F)c2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H22F9N5O/c1-12-11-40(24-18(27(34,35)36)5-15(10-37-24)13(2)42)3-4-41(12)25-38-21-9-16(26(31,32)33)8-17(23(21)39-25)14-6-19(28)22(30)20(29)7-14/h5-10,12-13,42H,3-4,11H2,1-2H3,(H,38,39)/t12-,13?/m1/s1
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| InChIKey |
DMLPNDZKMRCISV-PZORYLMUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound