SSR126768A   

GtoPdb Ligand ID: 2201

Synonyms: SSR-126768A
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 71.97
Molecular weight 603.17
XLogP 6.51
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCN(C(=O)c1ccc(c(c1)C1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1
Isomeric SMILES CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1
InChI InChI=1S/C33H31Cl2N3O4/c1-5-37(19-21-7-6-14-36-18-21)31(39)22-9-12-28(35)26(15-22)33(2)27-16-24(34)10-13-29(27)38(32(33)40)20-23-8-11-25(41-3)17-30(23)42-4/h6-18H,5,19-20H2,1-4H3/t33-/m0/s1
InChI Key UENRBNCNIZQNTR-XIFFEERXSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-chloro-3-[(3R)-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(pyridin-3-ylmethyl)benzamide
Synonyms
SSR-126768A
Database Links
ChEMBL Ligand CHEMBL1615640
GtoPdb PubChem SID 135651085
PubChem CID 10461270
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