HIT ID: HIT214434006
Cas No: 2484811-52-9
分子式: C27H32ClN5O4S
分子量: 558.09
常用名: ATX inhibitor 15
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-[5-(4-{[bis(2-hydroxyethyl)amino]methyl}-1,3-thiazol-2-yl)-1-ethyl-1H-indol-3-yl]-1-[(3-chloro-4-methoxyphenyl)methyl]urea
IUPAC: 3-[5-(4-{[bis(2-hydroxyethyl)amino]methyl}-1,3-thiazol-2-yl)-1-ethyl-1H-indol-3-yl]-1-[(3-chloro-4-methoxyphenyl)methyl]urea
SMILES: CCn1cc(NC(=O)NCc2ccc(OC)c(Cl)c2)c2cc(ccc12)-c1nc(CN(CCO)CCO)cs1
SMILES: CCn1cc(NC(=O)NCc2ccc(OC)c(Cl)c2)c2cc(ccc12)-c1nc(CN(CCO)CCO)cs1
InChI key: VVRQIPXYZCQXAH-UHFFFAOYSA-N
