General Information of the Compound
| Compound ID |
CP0307538
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| Compound Name |
N-[1-(3-amino-3-oxopropyl)-5-[methyl-[4-(trifluoromethoxy)benzoyl]amino]benzimidazol-2-yl]-4-cyanobenzamide
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| Structure |
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| Formula |
C27H21F3N6O4
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| Molecular Weight |
550.497
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| Canonical SMILES |
CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
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| InChI |
InChI=1S/C27H21F3N6O4/c1-35(25(39)18-6-9-20(10-7-18)40-27(28,29)30)19-8-11-22-21(14-19)33-26(36(22)13-12-23(32)37)34-24(38)17-4-2-16(15-31)3-5-17/h2-11,14H,12-13H2,1H3,(H2,32,37)(H,33,34,38)
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| InChIKey |
JMGKVLRBHUHFFV-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