HIT ID: HIT218929642
Cas No: 3032803-00-9
分子式: C27H22N8
分子量: 458.529
常用名: NNRT-IN-5
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-[(4-{[2,6-dimethyl-4-(pyridin-4-yl)phenyl]amino}-5-(1H-pyrazol-4-yl)pyrimidin-2-yl)amino]benzonitrile
IUPAC: 4-[(4-{[2,6-dimethyl-4-(pyridin-4-yl)phenyl]amino}-5-(1H-pyrazol-4-yl)pyrimidin-2-yl)amino]benzonitrile
SMILES: Cc1cc(cc(C)c1Nc1nc(Nc2ccc(cc2)C#N)ncc1-c1cn[nH]c1)-c1ccncc1
SMILES: Cc1cc(cc(C)c1Nc1nc(Nc2ccc(cc2)C#N)ncc1-c1cn[nH]c1)-c1ccncc1
InChI key: GYHSRDSBHMJDOY-UHFFFAOYSA-N