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23M

Summary
Name:2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE
Formula:C16 H15 N3
Formal charge:0
Formula weight:249.31 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(3-methylphenyl)-1H-indole-5-carboximidamide
OpenEye OEToolkits1.5.02-(3-methylphenyl)-1H-indole-5-carboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[N@H]=C(c1cc2c(cc1)nc(c2)c3cccc(c3)C)N
SMILES_CANONICALCACTVS3.341Cc1cccc(c1)c2[nH]c3ccc(cc3c2)C(N)=N
SMILESCACTVS3.341Cc1cccc(c1)c2[nH]c3ccc(cc3c2)C(N)=N
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)/N
SMILESOpenEye OEToolkits1.5.0[H]N=C(c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)N
InChIInChI1.03InChI=1S/C16H15N3/c1-10-3-2-4-11(7-10)15-9-13-8-12(16(17)18)5-6-14(13)19-15/h2-9,19H,1H3,(H3,17,18)
InChIKeyInChI1.03KJUSXMYSVXZFDJ-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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