General Information of the Compound
| Compound ID |
CP0386574
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| Compound Name |
2(R,S)-{2-[(1H-indole-2-carbonyl)amino]-benzoylamino}propionic acid
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| Synonyms |
2(R,S)-{2-[(1H-indole-2-carbonyl)amino]-benzoylamino}propionic acid
2-(R,S)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoylamino}-propionic acid
AKOS030589696
BDBM50185259
CHEMBL380355
VL-2799
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| Structure |
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| Formula |
C19H17N3O4
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| Molecular Weight |
351.362
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| Canonical SMILES |
CC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
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| InChI |
InChI=1S/C19H17N3O4/c1-11(19(25)26)20-17(23)13-7-3-5-9-15(13)22-18(24)16-10-12-6-2-4-8-14(12)21-16/h2-11,21H,1H3,(H,20,23)(H,22,24)(H,25,26)
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| InChIKey |
GNVBTLURHXQVAD-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
Clinical Information about the Compound