General Information of the Compound
| Compound ID |
CP0899733
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| Compound Name |
4-((6-chloro-4-methoxy-3-methyl-2-(4-(trifluoromethoxy)phenylimino)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-N-(1H-tetrazol-5-yl)benzamide
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| Formula |
C25H20ClF3N8O3
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| Molecular Weight |
572.935
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| Canonical SMILES |
COc1cc(Cl)cc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1
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| InChI |
InChI=1S/C25H20ClF3N8O3/c1-36-21-19(11-16(26)12-20(21)39-2)37(24(36)30-17-7-9-18(10-8-17)40-25(27,28)29)13-14-3-5-15(6-4-14)22(38)31-23-32-34-35-33-23/h3-12H,13H2,1-2H3,(H2,31,32,33,34,35,38)/b30-24-
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| InChIKey |
YZRQJZLHSSDVTH-KRUMMXJUSA-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