General Information of the Compound
| Compound ID |
CP0442385
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| Compound Name |
2(R,S)-{2-[(2-acetylaminocinnamoyl)amino]benzoylamino}-3-phenylpropionic acid
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| Synonyms |
2(R,S)-{2-[(2-acetylaminocinnamoyl)amino]benzoylamino}-3-phenylpropionic acid
BDBM50185263
CHEMBL208171
VL-0699
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| Structure |
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| Formula |
C27H25N3O5
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| Molecular Weight |
471.513
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| Canonical SMILES |
CC(=O)N\C(=C\c1ccccc1)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C27H25N3O5/c1-18(31)28-23(16-19-10-4-2-5-11-19)26(33)29-22-15-9-8-14-21(22)25(32)30-24(27(34)35)17-20-12-6-3-7-13-20/h2-16,24H,17H2,1H3,(H,28,31)(H,29,33)(H,30,32)(H,34,35)/b23-16+
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| InChIKey |
GKGZJDOSLXUABF-XQNSMLJCSA-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