General Information of the Compound
| Compound ID |
CP0517355
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| Compound Name |
2-[4-[[cyclohexyl(pentanoyl)amino]methyl]phenyl]benzoic acid
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| Formula |
C25H31NO3
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| Molecular Weight |
393.527
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1C(O)=O)C1CCCCC1
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| InChI |
InChI=1S/C25H31NO3/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/h7-8,11-12,14-17,21H,2-6,9-10,13,18H2,1H3,(H,28,29)
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| InChIKey |
XNZCSVUUMOCBAQ-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