General Information of the Compound
| Compound ID |
CP0317417
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| Compound Name |
N-[1-(3-amino-3-oxopropyl)-5-[(4-methoxybenzoyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide
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| Structure |
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| Formula |
C27H24N6O4
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| Molecular Weight |
496.527
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N(C)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
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| InChI |
InChI=1S/C27H24N6O4/c1-32(26(36)19-7-10-21(37-2)11-8-19)20-9-12-23-22(15-20)30-27(33(23)14-13-24(29)34)31-25(35)18-5-3-17(16-28)4-6-18/h3-12,15H,13-14H2,1-2H3,(H2,29,34)(H,30,31,35)
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| InChIKey |
QVNRUMIEALUOHI-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