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H7S

Summary
Name:(3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
Formula:C12 H9 F N2 O2
Formal charge:0
Formula weight:232.21 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
OpenEye OEToolkits2.0.6(3~{S})-3-(5-fluoranyl-1~{H}-indol-3-yl)pyrrolidine-2,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(C(NC(=O)C1)=O)c2cnc3c2cc(cc3)F
InChIInChI1.03InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m0/s1
InChIKeyInChI1.03MXKLDYKORJEOPR-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc2[nH]cc([C@@H]3CC(=O)NC3=O)c2c1
SMILESCACTVS3.385Fc1ccc2[nH]cc([CH]3CC(=O)NC3=O)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O
SMILESOpenEye OEToolkits2.0.6c1cc2c(cc1F)c(c[nH]2)C3CC(=O)NC3=O

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数据于2024-07-17公开中

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