General Information of the Compound
| Compound ID |
CP0551686
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| Compound Name |
2-[4-[(4-cyano-N-pentanoylanilino)methyl]phenyl]benzoic acid
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| Formula |
C26H24N2O3
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| Molecular Weight |
412.489
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1C(O)=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C26H24N2O3/c1-2-3-8-25(29)28(22-15-11-19(17-27)12-16-22)18-20-9-13-21(14-10-20)23-6-4-5-7-24(23)26(30)31/h4-7,9-16H,2-3,8,18H2,1H3,(H,30,31)
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| InChIKey |
KBFGPURQQWLXNS-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