General Information of the Compound
| Compound ID |
CP0386573
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| Compound Name |
(+/-)-2-(2-cinnamamidobenzamido)-3-phenylpropanoic acid
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| Synonyms |
(+/-)-2-(2-cinnamamidobenzamido)-3-phenylpropanoic acid
3-phenyl-2(R,S)-[2-(cinnamoylamino)benzoylamino]propionic acid
BDBM50185260
CHEMBL377157
VL-1499
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| Structure |
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| Formula |
C25H22N2O4
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| Molecular Weight |
414.461
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| Canonical SMILES |
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C25H22N2O4/c28-23(16-15-18-9-3-1-4-10-18)26-21-14-8-7-13-20(21)24(29)27-22(25(30)31)17-19-11-5-2-6-12-19/h1-16,22H,17H2,(H,26,28)(H,27,29)(H,30,31)/b16-15+
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| InChIKey |
GKKJCDQBYJQSQR-FOCLMDBBSA-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
Clinical Information about the Compound