General Information of the Compound
| Compound ID |
CP0543595
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| Compound Name |
1-(4-benzamidobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C26H29N7O3
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| Molecular Weight |
487.564
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(ccc2n1CCCCNC(=O)c1ccccc1)C(N)=O
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| InChI |
InChI=1S/C26H29N7O3/c1-3-33-22(15-17(2)31-33)25(36)30-26-29-20-16-19(23(27)34)11-12-21(20)32(26)14-8-7-13-28-24(35)18-9-5-4-6-10-18/h4-6,9-12,15-16H,3,7-8,13-14H2,1-2H3,(H2,27,34)(H,28,35)(H,29,30,36)
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| InChIKey |
KBYUURFBINRFOP-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