lintitript   Click here for help

GtoPdb Ligand ID: 890

Synonyms: SR-27897 | SR27897
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 112.46
Molecular weight 411.04
XLogP 4.3
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl
Isomeric SMILES OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl
InChI InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)
InChI Key ILNRQFBVVQUOLP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid
International Nonproprietary Names Click here for help
INN number INN
7381 lintitript
Synonyms Click here for help
SR-27897 | SR27897
Database Links Click here for help
CAS Registry No. 136381-85-6
ChEBI CHEBI:518097
ChEMBL Ligand CHEMBL249973
GtoPdb PubChem SID 135650524
PubChem CID 122077
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Tocris
SR 27897
Cat. No. 2190