HIT ID: HIT106057221
Cas No: 351522-71-9
分子式: C21H21ClN6O
分子量: 408.89
常用名: NMO-IgG blocker A-01
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 5.310000000000000e+000
IUPAC: 6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]-3-propyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC: 6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]-3-propyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CCCc1[nH]nc2OC(N)=C(C#N)C(c3c(C)nn(c3Cl)-c3ccc(C)cc3)c12 |t:9|
SMILES: CCCc1[nH]nc2OC(N)=C(C#N)C(c3c(C)nn(c3Cl)-c3ccc(C)cc3)c12 |t:9|
InChI key: VFOVVXNHPDPGAD-UHFFFAOYSA-N
