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HIT218674680
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HIT218674680
  • HIT ID:HIT218674680
  • Cas No:
  • Common Name:4-(4-{[6-(4-chlorophenyl)spiro[3.5]non-6-en-7-yl]methyl}piperazin-1-yl)-N-{4-[(1,4-dioxan-2-ylmethyl)amino]-3-nitrobenzenesulfonyl}-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
    Common Name:4-(4-{[6-(4-chlorophenyl)spiro[3.5]non-6-en-7-yl]methyl}piperazin-1-yl)-N-{4-[(1,4-dioxan-2-ylmethyl)amino]-3-nitrobenzenesulfonyl}-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
  • IUPAC:4-(4-{[6-(4-chlorophenyl)spiro[3.5]non-6-en-7-yl]methyl}piperazin-1-yl)-N-(4-{[(1,4-dioxan-2-yl)methyl]amino}-3-nitrobenzenesulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
    IUPAC:4-(4-{[6-(4-chlorophenyl)spiro[3.5]non-6-en-7-yl]methyl}piperazin-1-yl)-N-(4-{[(1,4-dioxan-2-yl)methyl]amino}-3-nitrobenzenesulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
  • InChI key:FNBXDBIYRAPDPI-UHFFFAOYSA-N
  • Molecular Formula:C45H48ClN7O8S
  • Molecular Weight:882.43
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:Clc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC2(CCC2)C1
    SMILES:Clc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC2(CCC2)C1
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