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HYZ

Summary
Name:N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine
Formula:C24 H27 F N8
Formal charge:0
Formula weight:446.523 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine
OpenEye OEToolkits1.5.0N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cccc(c1)Cn3ncc2cc(ccc23)Nc4ncnc(c4CNN5CCCCC5)N
SMILES_CANONICALCACTVS3.341Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CNN5CCCCC5
SMILESCACTVS3.341Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CNN5CCCCC5
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5
InChIInChI1.03InChI=1S/C24H27FN8/c25-19-6-4-5-17(11-19)15-33-22-8-7-20(12-18(22)13-30-33)31-24-21(23(26)27-16-28-24)14-29-32-9-2-1-3-10-32/h4-8,11-13,16,29H,1-3,9-10,14-15H2,(H3,26,27,28,31)
InChIKeyInChI1.03IMHOFYWDXRUQBM-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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