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QNR

Summary
Name:3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine
Formula:C11 H9 N3
Formal charge:0
Formula weight:183.209 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.03~{H}-pyrrolo[2,3-c]isoquinolin-5-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C11H9N3/c12-10-8-4-2-1-3-7(8)9-5-6-13-11(9)14-10/h1-6H,(H3,12,13,14)
InChIKeyInChI1.06OEJVERPJEZHNRW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1nc2[nH]ccc2c3ccccc13
SMILESCACTVS3.385Nc1nc2[nH]ccc2c3ccccc13
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2c(c1)c3cc[nH]c3nc2N
SMILESOpenEye OEToolkits3.1.0.0c1ccc2c(c1)c3cc[nH]c3nc2N

221371

PDB entries from 2024-06-19

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