General Information of the Compound
| Compound ID |
CP0944457
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| Compound Name |
(2R)-1-((1-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)-2,2,2-trifluoroethyl)amino)propan-2-ol
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| Structure |
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| Formula |
C27H28F3N3O2
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| Molecular Weight |
483.534
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| Canonical SMILES |
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(NC[C@@H](C)O)C(F)(F)F)cc21
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| InChI |
InChI=1S/C27H28F3N3O2/c1-3-33-23-16-19(24(27(28,29)30)31-17-18(2)34)14-15-22(23)32-25(33)26(35,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,24,31,34-35H,3,17H2,1-2H3/t18-,24?/m1/s1
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| InChIKey |
RIWJQEKJCQCWFW-QFADGXAASA-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