General Information of the Compound
| Compound ID |
CP0078952
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| Compound Name |
GAVESTINEL
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| Synonyms |
(E)-4,6-Dichloro-3-(3-oxo-3-(phenylamino)-1-propenyl)-1H-indole-2-carboxylic acid
153436-22-7
1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((1E)-3-oxo-3-(phenylamino)-1-propenyl)-
1H-Indole-2-carboxylic acid, 4,6-dichloro-3-(3-oxo-3-(phenylamino)-1-propenyl)-, (E)-
318X4QY113
4,6-Dichloro-3-((E)-2-(phenylcarbamoyl)vinyl)indole-2-carboxylic acid
AC1O51WR
CHEMBL44793
GV 150526
GV 150526X
GV-150526X
Gavestinel
Gavestinel (USAN/INN)
Gavestinel [USAN:INN:BAN]
SCHEMBL1721070
SCHEMBL678632
UNII-318X4QY113
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| Structure |
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| Formula |
C18H12Cl2N2O3
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| Molecular Weight |
375.211
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| Canonical SMILES |
OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/b7-6+
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| InChIKey |
WZBNEZWCNKUOSM-VOTSOKGWSA-N
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| CAS |
153436-22-7
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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