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SummaryGeometryRelated PDB entries

29Q

Summary
Name:(5R)-5-(4-chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol
Formula:C16 H13 Cl N2 O
Formal charge:0
Formula weight:284.74 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5R)-5-(4-chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol
OpenEye OEToolkits1.7.6(5R)-5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1)C4(O)c2c(cccc2)C3=NCCN34
InChIInChI1.03InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2/t16-/m1/s1
InChIKeyInChI1.03ZPXSCAKFGYXMGA-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385O[C@]1(N2CCN=C2c3ccccc13)c4ccc(Cl)cc4
SMILESCACTVS3.385O[C]1(N2CCN=C2c3ccccc13)c4ccc(Cl)cc4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)C3=NCCN3C2(c4ccc(cc4)Cl)O

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건을2024-07-17부터공개중

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