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KZI

Summary
Name:5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide
Formula:C19 H26 N6 O3
Formal charge:0
Formula weight:386.448 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.15-[[(1R,2S)-2-azanylcyclohexyl]amino]-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352COc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cc(OC)c1
SMILESCACTVS3.352COc1cc(Nc2nc(N[CH]3CCCC[CH]3N)cnc2C(N)=O)cc(OC)c1
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1cc(cc(c1)OC)Nc2c(ncc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N
SMILESOpenEye OEToolkits1.7.0COc1cc(cc(c1)OC)Nc2c(ncc(n2)NC3CCCCC3N)C(=O)N
InChIInChI1.03InChI=1S/C19H26N6O3/c1-27-12-7-11(8-13(9-12)28-2)23-19-17(18(21)26)22-10-16(25-19)24-15-6-4-3-5-14(15)20/h7-10,14-15H,3-6,20H2,1-2H3,(H2,21,26)(H2,23,24,25)/t14-,15+/m0/s1
InChIKeyInChI1.03QWHIZRAQVGLTOV-LSDHHAIUSA-N

223532

PDB entries from 2024-08-07

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