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venetoclax

PropertiesImageOccurences in reactions
MNX_IDMNXM162092Image of MNXM162092
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC45H50ClN7O7S
charge0
mass867.3181
referencechebi:133021
InChIKeyLQBVNQSMGBZMKD-UHFFFAOYSA-N
InChIInChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
SMILESCC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:133021
chebi:133021 		venetoclax
4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
ABT 199
ABT-199
ABT199
GDC 0199
Venclexta
kegg.drug:D10679
keggD:D10679 		Venetoclax (JAN/USAN/INN)
Venclexta (TN)
keggD:M_D10679 secondary/obsolete/fantasy identifier