General Information of the Compound
| Compound ID |
CP0445695
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| Compound Name |
2-[4-[[benzoyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C30H27NO3
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| Molecular Weight |
449.55
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| Canonical SMILES |
OC(=O)c1ccccc1-c1ccc(CN(CCCc2ccccc2)C(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C30H27NO3/c32-29(26-13-5-2-6-14-26)31(21-9-12-23-10-3-1-4-11-23)22-24-17-19-25(20-18-24)27-15-7-8-16-28(27)30(33)34/h1-8,10-11,13-20H,9,12,21-22H2,(H,33,34)
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| InChIKey |
XUQGBBILZZDWTD-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