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SummaryGeometryRelated PDB entries

IX8

Summary
Name:7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
Formula:C26 H28 N4 O2
Formal charge:0
Formula weight:428.526 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.77-methyl-~{N}-[(2~{R})-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1
InChIKeyInChI1.06DJSWNINDPRRCLC-GOSISDBHSA-N
SMILES_CANONICALCACTVS3.385C[C@H](COc1ccccc1)NC(=O)c2cnc3n(ncc3c4ccc(cc4)C(C)C)c2C
SMILESCACTVS3.385C[CH](COc1ccccc1)NC(=O)c2cnc3n(ncc3c4ccc(cc4)C(C)C)c2C
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(cnc2n1ncc2c3ccc(cc3)C(C)C)C(=O)N[C@H](C)COc4ccccc4
SMILESOpenEye OEToolkits2.0.7Cc1c(cnc2n1ncc2c3ccc(cc3)C(C)C)C(=O)NC(C)COc4ccccc4

222415

PDB entries from 2024-07-10

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