General Information of the Compound
| Compound ID |
CP0451806
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| Compound Name |
6-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1H-benzimidazol-5-amine
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| Structure |
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| Formula |
C26H21F9N6
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| Molecular Weight |
588.478
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| Canonical SMILES |
FC(F)(F)c1ccc(CNc2cc3[nH]c(nc3cc2C(F)(F)F)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H21F9N6/c27-24(28,29)16-5-3-15(4-6-16)14-37-19-13-21-20(12-18(19)26(33,34)35)38-23(39-21)41-10-8-40(9-11-41)22-17(25(30,31)32)2-1-7-36-22/h1-7,12-13,37H,8-11,14H2,(H,38,39)
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| InChIKey |
YXRZIOJHLXKSAB-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