flindokalner   Click here for help

GtoPdb Ligand ID: 2307

Synonyms: BMS 204352 | BMS-204352 | BMS204352
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 38.33
Molecular weight 359.03
XLogP 4.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1C1(F)C(=O)Nc2c1ccc(c2)C(F)(F)F)Cl
Isomeric SMILES COc1ccc(cc1[C@]1(F)C(=O)Nc2c1ccc(c2)C(F)(F)F)Cl
InChI InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/t15-/m0/s1
InChI Key ULYONBAOIMCNEH-HNNXBMFYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3S)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
International Nonproprietary Names Click here for help
INN number INN
8182 flindokalner
Synonyms Click here for help
BMS 204352 | BMS-204352 | BMS204352
Database Links Click here for help
CAS Registry No. 187523-35-9 (source: Scifinder)
ChEMBL Ligand CHEMBL266510
GtoPdb PubChem SID 135650001
PubChem CID 214350
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