General Information of the Compound
| Compound ID |
CP0446064
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| Compound Name |
6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-N-[(3,4,5-trifluorophenyl)methyl]-1H-benzimidazol-4-amine
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| Structure |
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| Formula |
C25H19F9N6
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| Molecular Weight |
574.451
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| Canonical SMILES |
Fc1cc(CNc2cc(cc3[nH]c(nc23)N2CCN(CC2)c2ncccc2C(F)(F)F)C(F)(F)F)cc(F)c1F
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| InChI |
InChI=1S/C25H19F9N6/c26-16-8-13(9-17(27)20(16)28)12-36-18-10-14(24(29,30)31)11-19-21(18)38-23(37-19)40-6-4-39(5-7-40)22-15(25(32,33)34)2-1-3-35-22/h1-3,8-11,36H,4-7,12H2,(H,37,38)
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| InChIKey |
RBGVGWQVZFVNHY-UHFFFAOYSA-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