COVPDB

Ligand

Ligand Name: RWJ-51084
Ligand Type: non-polymer
Ligand ID: COVPDB1292	PubChem: 5289320
Synonym(s): chembl164138 cyclopentanecarboxylic acid [1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide schembl18866505 bdbm50139747 db03251 q27094180 cyclopentanecarboxylic acid [(s)-1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide n-[(1s)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]cyclopentanecarboxamide show 7 synonym(s)
DrugBank: DB03251	ChEMBL: CHEMBL164138
Canonical SMILES: NC(=N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1
Standard InChI: InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)/t14-/m0/s1
Molecular Formula: C19H25N5O2S	Mol. Weight: 387.17288	logP: 2.41727
HBD: 4	HBA: 5
#Rotatable Bonds: 8	TPSA: 120.96