Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L8F2GA
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Ligand Name |
XD30VB6Drt
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Synonyms |
ABBV-167; XD30VB6DRT; 1351456-78-4; 4-(4-((2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)-2-((7-((phosphonooxy)methyl)-7H-pyrrolo(2,3-b)pyridin-5-yl)oxy)benzamide; Benzamide, 4-(4-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)-2-((7-((phosphonooxy)methyl)-7H-pyrrolo(2,3-b)pyridin-5-yl)oxy)-; Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester; UNII-XD30VB6DRT; SCHEMBL523173; CHEMBL3970353; BDBM237169; HY-142209; CS-0371239; US9403822, 2
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Structure |
Download2D MOL
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Formula |
C46H53ClN7O11PS
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Canonical SMILES |
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN(C8=NC=CC8=C7)COP(=O)(O)O)C
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InChI |
1S/C46H53ClN7O11PS/c1-46(2)15-11-34(40(26-46)32-3-5-35(47)6-4-32)28-51-17-19-52(20-18-51)36-7-9-39(43(24-36)65-37-23-33-12-16-48-44(33)53(29-37)30-64-66(58,59)60)45(55)50-67(61,62)38-8-10-41(42(25-38)54(56)57)49-27-31-13-21-63-22-14-31/h3-10,12,16,23-25,29,31,49H,11,13-15,17-22,26-28,30H2,1-2H3,(H,50,55)(H2,58,59,60)
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InChIKey |
CLQLTQZFOGFNCT-UHFFFAOYSA-N
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PubChem Compound ID |
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