General Information of the Compound
| Compound ID |
CP0545781
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| Compound Name |
3-[4-[(N-pentanoylanilino)methyl]phenyl]pyridine-4-carboxylic 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)-c1cnccc1C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C24H24N2O3/c1-2-3-9-23(27)26(20-7-5-4-6-8-20)17-18-10-12-19(13-11-18)22-16-25-15-14-21(22)24(28)29/h4-8,10-16H,2-3,9,17H2,1H3,(H,28,29)
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| InChIKey |
LJFUHCSHHFCGQQ-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