General Information of the Compound
| Compound ID |
CP0551684
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| Compound Name |
2-[4-[(N-(2-phenylacetyl)anilino)methyl]phenyl]benzoic acid
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| Formula |
C28H23NO3
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| Molecular Weight |
421.496
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| Canonical SMILES |
OC(=O)c1ccccc1-c1ccc(CN(C(=O)Cc2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H23NO3/c30-27(19-21-9-3-1-4-10-21)29(24-11-5-2-6-12-24)20-22-15-17-23(18-16-22)25-13-7-8-14-26(25)28(31)32/h1-18H,19-20H2,(H,31,32)
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| InChIKey |
HNQHWYYLQXNWJF-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