GV196771A   

GtoPdb Ligand ID: 4208

Synonyms: GV 196771A
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 76.23
Molecular weight 399.03
XLogP 3.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1cc(Cl)c2c(c1)[nH]c(c2C=C1CCN(C1=O)c1ccccc1)C(=O)[O-]
Isomeric SMILES Clc1cc(Cl)c2c(c1)[nH]c(c2/C=C/1\CCN(C1=O)c1ccccc1)C(=O)[O-]
InChI InChI=1S/C20H14Cl2N2O3/c21-12-9-15(22)17-14(18(20(26)27)23-16(17)10-12)8-11-6-7-24(19(11)25)13-4-2-1-3-5-13/h1-5,8-10,23H,6-7H2,(H,26,27)/p-1/b11-8+
InChI Key VDIRQCDDCGAGET-DHZHZOJOSA-M
Classification
Compound class Synthetic organic
IUPAC Name
4,6-dichloro-3-{[(3E)-2-oxo-1-phenylpyrrolidin-3-ylidene]methyl}-1H-indole-2-carboxylate
Synonyms
GV 196771A
Database Links
CAS Registry No. 166974-22-7 (source: Scifinder)
GtoPdb PubChem SID 178101025
PubChem CID 21202952
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