General Information of the Compound
| Compound ID |
CP0251198
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| Compound Name |
5-[2-(octylcarbamoyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C28H40N4O2
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| Molecular Weight |
464.654
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| Canonical SMILES |
CCCCCCCCNC(=O)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1
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| InChI |
InChI=1S/C28H40N4O2/c1-2-3-4-5-6-9-15-31-28(34)26-14-8-7-13-25(26)23-20-24(22-29-21-23)27(33)30-16-12-19-32-17-10-11-18-32/h7-8,13-14,20-22H,2-6,9-12,15-19H2,1H3,(H,30,33)(H,31,34)
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| InChIKey |
KJFVXTZSNAXFBN-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