CP-122288   

GtoPdb Ligand ID: 110

Synonyms: CP 122288 | CP-122,288 | CP122288
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 73.58
Molecular weight 321.15
XLogP 1.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CC1CCCN1C
Isomeric SMILES CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)C[C@H]1CCCN1C
InChI InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1
InChI Key BWQZTHPHLITOOZ-CQSZACIVSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
Synonyms
CP 122288 | CP-122,288 | CP122288
Database Links
CAS Registry No. 143321-74-8 (source: Scifinder)
ChEMBL Ligand CHEMBL159332
GtoPdb PubChem SID 135650124
PubChem CID 132552
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Wikipedia CP-122,288