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E6Q

Summary
Name:3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one
Formula:C16 H10 N2 O
Formal charge:0
Formula weight:246.263 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H10N2O/c19-16-14-11(8-18-16)6-7-12-13(9-17-15(12)14)10-4-2-1-3-5-10/h1-9,17H
InChIKeyInChI1.03YJGNZVVUIPDSRL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1N=Cc2ccc3c([nH]cc3c4ccccc4)c12
SMILESCACTVS3.385O=C1N=Cc2ccc3c([nH]cc3c4ccccc4)c12
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4

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PDB entries from 2024-07-17

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