General Information of the Compound
| Compound ID |
CP0340399
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| Compound Name |
N-[1-(3-amino-3-oxopropyl)-2-[(4-cyanobenzoyl)amino]benzimidazol-5-yl]-N-methylpyridine-4-carboxamide
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| Structure |
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| Formula |
C25H21N7O3
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| Molecular Weight |
467.489
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| Canonical SMILES |
CN(C(=O)c1ccncc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
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| InChI |
InChI=1S/C25H21N7O3/c1-31(24(35)18-8-11-28-12-9-18)19-6-7-21-20(14-19)29-25(32(21)13-10-22(27)33)30-23(34)17-4-2-16(15-26)3-5-17/h2-9,11-12,14H,10,13H2,1H3,(H2,27,33)(H,29,30,34)
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| InChIKey |
OIRRXAJVSBXTIG-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