General Information of the Compound
| Compound ID |
CP0240645
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| Compound Name |
5-[2-[4-(benzimidazol-1-yl)butylcarbamoyl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C31H36N6O2
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| Molecular Weight |
524.669
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| Canonical SMILES |
O=C(NCCCN1CCCC1)c1cncc(c1)-c1ccccc1C(=O)NCCCCn1cnc2ccccc12
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| InChI |
InChI=1S/C31H36N6O2/c38-30(33-15-9-18-36-16-7-8-17-36)25-20-24(21-32-22-25)26-10-1-2-11-27(26)31(39)34-14-5-6-19-37-23-35-28-12-3-4-13-29(28)37/h1-4,10-13,20-23H,5-9,14-19H2,(H,33,38)(H,34,39)
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| InChIKey |
OKWNLWSHCBCOFK-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