General Information of the Compound
| Compound ID |
CP0487538
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| Compound Name |
2-[4-[[pentanoyl(pyridin-4-yl)amino]methyl]phenyl]benzoic acid
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| Formula |
C24H24N2O3
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| Molecular Weight |
388.467
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1C(O)=O)c1ccncc1
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| InChI |
InChI=1S/C24H24N2O3/c1-2-3-8-23(27)26(20-13-15-25-16-14-20)17-18-9-11-19(12-10-18)21-6-4-5-7-22(21)24(28)29/h4-7,9-16H,2-3,8,17H2,1H3,(H,28,29)
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| InChIKey |
ASZFAPQMGXNKJW-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