General Information of the Compound
| Compound ID |
CP0020488
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| Compound Name |
N-[1-(3-aminopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C23H29N5O2S
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| Molecular Weight |
439.585
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| Canonical SMILES |
CN(C(=O)C1CCCCC1)c1ccc2n(CCCN)c(NC(=O)c3cccs3)nc2c1
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| InChI |
InChI=1S/C23H29N5O2S/c1-27(22(30)16-7-3-2-4-8-16)17-10-11-19-18(15-17)25-23(28(19)13-6-12-24)26-21(29)20-9-5-14-31-20/h5,9-11,14-16H,2-4,6-8,12-13,24H2,1H3,(H,25,26,29)
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| InChIKey |
PNKZMKLBCXJMOP-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