ENPP1 inhibitor 32
HIT219159185
sdf文件结构编辑类似物检索
HIT ID: HIT219159185
Cas No:
分子式: C27H25N8Na3O11S3
分子量: 802.69
常用名: ENPP1 inhibitor 32
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: trisodium 8-({[3-(4-{[(3-azidopropyl)amino]methyl}-1H-1,2,3-triazol-1-yl)propyl]carbamoyl}methoxy)pyrene-1,3,6-trisulfonate
IUPAC: trisodium 8-({[3-(4-{[(3-azidopropyl)amino]methyl}-1H-1,2,3-triazol-1-yl)propyl]carbamoyl}methoxy)pyrene-1,3,6-trisulfonate
SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(OCC(=O)NCCCn2cc(CNCCCN=[N+]=[N-])nn2)c2ccc3c(cc(c4ccc1c2c34)S([O-])(=O)=O)S([O-])(=O)=O
SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(OCC(=O)NCCCn2cc(CNCCCN=[N+]=[N-])nn2)c2ccc3c(cc(c4ccc1c2c34)S([O-])(=O)=O)S([O-])(=O)=O
InChI key: ZBJHUXAAAHDWLC-UHFFFAOYSA-K
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SC
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