Name: TGP-377
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220773788
Cas No:2665700-67-2
常用名:TGP-377
IUPAC:4-[3,5-bis(6-amino-1H-1,3-benzodiazol-2-yl)phenoxy]-N-{[({[({[(carbamoylmethyl)({3-[4-({4-[2-methyl-6-({4-[(quinolin-2-yl)amino]pyridin-2-yl}amino)pyrimidin-4-yl]piperazin-1-yl}methyl)-1H-1,2,3-triazol-1-yl]propyl})carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}-N-propylbutanamide
IUPAC:4-[3,5-bis(6-amino-1H-1,3-benzodiazol-2-yl)phenoxy]-N-{[({[({[(carbamoylmethyl)({3-[4-({4-[2-methyl-6-({4-[(quinolin-2-yl)amino]pyridin-2-yl}amino)pyrimidin-4-yl]piperazin-1-yl}methyl)-1H-1,2,3-triazol-1-yl]propyl})carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}-N-propylbutanamide
InChI key:InChIKey=JFZKAFCGOWHIRV-UHFFFAOYSA-N

分子式:C75H93N23O7
分子量:1428.723
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CN2CCN(CC2)c2cc(Nc3cc(Nc4ccc5ccccc5n4)ccn3)nc(C)n2)nn1)CC(N)=O)C(=O)CCCOc1cc(cc(c1)-c1nc2ccc(N)cc2[nH]1)-c1nc2ccc(N)cc2[nH]1
SMILES:CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CN2CCN(CC2)c2cc(Nc3cc(Nc4ccc5ccccc5n4)ccn3)nc(C)n2)nn1)CC(N)=O)C(=O)CCCOc1cc(cc(c1)-c1nc2ccc(N)cc2[nH]1)-c1nc2ccc(N)cc2[nH]1

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