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QOQ

Summary
Name:5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
Formula:C18 H19 Cl F2 N6
Formal charge:0
Formula weight:392.833 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H19ClF2N6/c1-11-5-12(6-16(19)24-11)8-26-4-2-3-13(9-26)15-7-14(17(20)21)25-18-22-10-23-27(15)18/h5-7,10,13,17H,2-4,8-9H2,1H3/t13-/m0/s1
InChIKeyInChI1.03MSZCFMHHPOAAQM-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(CN2CCC[C@@H](C2)c3cc(nc4ncnn34)C(F)F)cc(Cl)n1
SMILESCACTVS3.385Cc1cc(CN2CCC[CH](C2)c3cc(nc4ncnn34)C(F)F)cc(Cl)n1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n3ncn4)C(F)F
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(n1)Cl)CN2CCCC(C2)c3cc(nc4n3ncn4)C(F)F

223790

건을2024-08-14부터공개중

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