General Information of the Compound
| Compound ID |
CP0548191
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| Compound Name |
2-[4-[(N-(2-cyclopropylacetyl)anilino)methyl]phenyl]benzoic acid
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| Formula |
C25H23NO3
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| Molecular Weight |
385.463
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| Canonical SMILES |
OC(=O)c1ccccc1-c1ccc(CN(C(=O)CC2CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C25H23NO3/c27-24(16-18-10-11-18)26(21-6-2-1-3-7-21)17-19-12-14-20(15-13-19)22-8-4-5-9-23(22)25(28)29/h1-9,12-15,18H,10-11,16-17H2,(H,28,29)
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| InChIKey |
KELQDDVYXNMXER-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