General Information of the Compound
| Compound ID |
CP0170594
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| Compound Name |
N-[1-(3-amino-3-oxopropyl)-2-[(4-cyanobenzoyl)amino]benzimidazol-5-yl]-N,4-dimethylbenzamide
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| Structure |
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| Formula |
C27H24N6O3
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| Molecular Weight |
480.528
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| Canonical SMILES |
CN(C(=O)c1ccc(C)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
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| InChI |
InChI=1S/C27H24N6O3/c1-17-3-7-20(8-4-17)26(36)32(2)21-11-12-23-22(15-21)30-27(33(23)14-13-24(29)34)31-25(35)19-9-5-18(16-28)6-10-19/h3-12,15H,13-14H2,1-2H3,(H2,29,34)(H,30,31,35)
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| InChIKey |
GKLXUBYGZISONL-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