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A1E5E

Summary
Name:Gartisertib
Formula:C25 H29 F2 N9 O3
Formal charge:0
Formula weight:541.553 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-azanyl-6-fluoranyl-~{N}-[5-fluoranyl-4-[4-[4-(oxetan-3-yl)piperazin-1-yl]carbonylpiperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)
InChIKeyInChI1.06QAYHKBLKSXWOEO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1nn2cc(F)cnc2c1C(=O)Nc3cncc(F)c3N4CCC(CC4)C(=O)N5CCN(CC5)C6COC6
SMILESCACTVS3.385Nc1nn2cc(F)cnc2c1C(=O)Nc3cncc(F)c3N4CCC(CC4)C(=O)N5CCN(CC5)C6COC6
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(cn2c(n1)c(c(n2)N)C(=O)Nc3cncc(c3N4CCC(CC4)C(=O)N5CCN(CC5)C6COC6)F)F
SMILESOpenEye OEToolkits2.0.7c1c(cn2c(n1)c(c(n2)N)C(=O)Nc3cncc(c3N4CCC(CC4)C(=O)N5CCN(CC5)C6COC6)F)F

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PDB entries from 2026-08-26

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