General Information of the Compound
| Compound ID |
CP0904767
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| Compound Name |
4-((4-butyl-3-methyl-2-(4-(trifluoromethoxy)phenylimino)-6-(trifluoromethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-N-(1H-tetrazol-5-yl)benzamide
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| Formula |
C29H26F6N8O2
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| Molecular Weight |
632.569
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| Canonical SMILES |
CCCCc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1
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| InChI |
InChI=1S/C29H26F6N8O2/c1-3-4-5-19-14-20(28(30,31)32)15-23-24(19)42(2)27(36-21-10-12-22(13-11-21)45-29(33,34)35)43(23)16-17-6-8-18(9-7-17)25(44)37-26-38-40-41-39-26/h6-15H,3-5,16H2,1-2H3,(H2,37,38,39,40,41,44)/b36-27-
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| InChIKey |
KAXGDCVKDLAZFQ-RLANJUCJSA-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