General Information of the Compound
| Compound ID |
CP0437812
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| Compound Name |
N-[1-(3-aminopropyl)-5-(cyclohexanecarbonylamino)benzimidazol-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C22H27N5O2S
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| Molecular Weight |
425.558
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| Canonical SMILES |
NCCCn1c(NC(=O)c2cccs2)nc2cc(NC(=O)C3CCCCC3)ccc12
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| InChI |
InChI=1S/C22H27N5O2S/c23-11-5-12-27-18-10-9-16(24-20(28)15-6-2-1-3-7-15)14-17(18)25-22(27)26-21(29)19-8-4-13-30-19/h4,8-10,13-15H,1-3,5-7,11-12,23H2,(H,24,28)(H,25,26,29)
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| InChIKey |
WXXWTZZAPUCLIM-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