General Information of the Compound
| Compound ID |
CP0517358
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| Compound Name |
2-[4-[(N-butanoylanilino)methyl]phenyl]benzoic acid
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| Formula |
C24H23NO3
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| Molecular Weight |
373.452
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| Canonical SMILES |
CCCC(=O)N(Cc1ccc(cc1)-c1ccccc1C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C24H23NO3/c1-2-8-23(26)25(20-9-4-3-5-10-20)17-18-13-15-19(16-14-18)21-11-6-7-12-22(21)24(27)28/h3-7,9-16H,2,8,17H2,1H3,(H,27,28)
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| InChIKey |
OKIAVBYKGKWODE-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