COVPDB

Ligand

Ligand Name: MRTX849
Ligand Type: non-polymer
Ligand ID: COVPDB1258	PubChem: 132145444
Synonym(s): kras g12c inhibitor 5 schembl19617338 2158297-63-1 hy-114168 cs-0078097 2-((s)-1-acryloyl-4-(2-(((s)-1-methylpyrrolidin-2-yl)methoxy)-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazin-2-yl)acetonitrile show 5 synonym(s)
DrugBank: -	ChEMBL: -
Canonical SMILES: CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2ccccc12
Standard InChI: InChI=1S/C32H37N7O2/c1-3-30(40)39-19-18-38(20-24(39)13-15-33)31-27-14-17-37(29-12-6-9-23-8-4-5-11-26(23)29)21-28(27)34-32(35-31)41-22-25-10-7-16-36(25)2/h3-6,8-9,11-12,24-25H,1,7,10,13-14,16-22H2,2H3/t24-,25-/m0/s1
Molecular Formula: C32H37N7O2	Mol. Weight: 551.3009	logP: 3.78238
HBD: 0	HBA: 8
#Rotatable Bonds: 7	TPSA: 88.83