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M0B

Summary
Name:2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine
Formula:C21 H20 F3 N3 O2
Formal charge:0
Formula weight:403.398 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H20F3N3O2/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)27(26-21)20-17(24)9-14(10-25-20)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3
InChIKeyInChI1.03JNAABFZPXJJMPX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)Oc1nn(c(C)c1Oc2c(F)cccc2F)c3ncc(cc3F)C4CC4
SMILESCACTVS3.385CC(C)Oc1nn(c(C)c1Oc2c(F)cccc2F)c3ncc(cc3F)C4CC4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c(nn1c2c(cc(cn2)C3CC3)F)OC(C)C)Oc4c(cccc4F)F
SMILESOpenEye OEToolkits2.0.7Cc1c(c(nn1c2c(cc(cn2)C3CC3)F)OC(C)C)Oc4c(cccc4F)F

224931

건을2024-09-11부터공개중

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