General Information of the Compound
| Compound ID |
CP0548825
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| Compound Name |
2-[4-[(N-pentanoylanilino)methyl]phenyl]benzoic acid
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| Synonyms |
CAY 10583
CAY-10583
CAY10583
compound A [PMID:15866883]
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| Structure |
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| Formula |
C25H25NO3
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| Molecular Weight |
387.479
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C25H25NO3/c1-2-3-13-24(27)26(21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25(28)29/h4-12,14-17H,2-3,13,18H2,1H3,(H,28,29)
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| InChIKey |
IUJTVDNJFPZYBL-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
Clinical Information about the Compound