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26L

Summary
Name:(1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine
Formula:C22 H23 N5
Formal charge:0
Formula weight:357.452 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine
OpenEye OEToolkits1.7.6(1R,2R)-N2-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1,2-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(ccn2ncc(c12)c4cc3ccccc3cc4)NC5CCCCC5N
InChIInChI1.03InChI=1S/C22H23N5/c23-19-7-3-4-8-20(19)25-21-11-12-27-22(26-21)18(14-24-27)17-10-9-15-5-1-2-6-16(15)13-17/h1-2,5-6,9-14,19-20H,3-4,7-8,23H2,(H,25,26)/t19-,20-/m1/s1
InChIKeyInChI1.03LODPYXJMYAQIRB-WOJBJXKFSA-N
SMILES_CANONICALCACTVS3.385N[C@@H]1CCCC[C@H]1Nc2ccn3ncc(c4ccc5ccccc5c4)c3n2
SMILESCACTVS3.385N[CH]1CCCC[CH]1Nc2ccn3ncc(c4ccc5ccccc5c4)c3n2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)N[C@@H]5CCCC[C@H]5N
SMILESOpenEye OEToolkits1.7.6c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)NC5CCCCC5N

221716

PDB entries from 2024-06-26

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