General Information of the Compound
| Compound ID |
CP0566615
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| Compound Name |
2-[4-[[(3-fluorobenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C30H26FNO3
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| Molecular Weight |
467.54
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| Canonical SMILES |
OC(=O)c1ccccc1-c1ccc(CN(CCCc2ccccc2)C(=O)c2cccc(F)c2)cc1
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| InChI |
InChI=1S/C30H26FNO3/c31-26-12-6-11-25(20-26)29(33)32(19-7-10-22-8-2-1-3-9-22)21-23-15-17-24(18-16-23)27-13-4-5-14-28(27)30(34)35/h1-6,8-9,11-18,20H,7,10,19,21H2,(H,34,35)
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| InChIKey |
RIUIBOKZEQKOMJ-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