SB 277011-A   

GtoPdb Ligand ID: 143

Synonyms: SB-277,011A | SB-277011 | SB277011
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 69.02
Molecular weight 438.24
XLogP 4.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1ccc2c(c1)CCN(C2)CCC1CCC(CC1)NC(=O)c1ccnc2c1cccc2
Isomeric SMILES N#Cc1ccc2c(c1)CCN(C2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1ccnc2c1cccc2
InChI InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33)/t20-,24-
InChI Key OLWRVVHPJFLNPW-LSNLESRRSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide
Synonyms
SB-277,011A | SB-277011 | SB277011
Database Links
BindingDB Ligand 50167898
CAS Registry No. 215803-78-4 (source: Scifinder)
ChEMBL Ligand CHEMBL85606
GtoPdb PubChem SID 135651003
PubChem CID 5311096
Search Google for chemical match using the InChIKey OLWRVVHPJFLNPW-LSNLESRRSA-N
Search Google for chemicals with the same backbone OLWRVVHPJFLNPW
Search UniChem for chemical match using the InChIKey OLWRVVHPJFLNPW-LSNLESRRSA-N
Search UniChem for chemicals with the same backbone OLWRVVHPJFLNPW
Wikipedia SB-277,011-A