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5BN

Summary
Name:5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE
Formula:C17 H15 F N4 O
Formal charge:0
Formula weight:310.326 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-[(2-aminoethyl)amino]-6-fluoro-3-(1H-pyrrol-2-yl)benzo[cd]indol-2(1H)-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccc2c3c1c(cc(c3C(=O)N2)c4cccn4)NCCN
SMILES_CANONICALCACTVS3.341NCCNc1cc(c2[nH]ccc2)c3C(=O)Nc4ccc(F)c1c34
SMILESCACTVS3.341NCCNc1cc(c2[nH]ccc2)c3C(=O)Nc4ccc(F)c1c34
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN
SMILESOpenEye OEToolkits1.5.0c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN
InChIInChI1.03InChI=1S/C17H15FN4O/c18-10-3-4-12-16-14(17(23)22-12)9(11-2-1-6-20-11)8-13(15(10)16)21-7-5-19/h1-4,6,8,20-21H,5,7,19H2,(H,22,23)
InChIKeyInChI1.03CQCXWWWNUFQYJS-UHFFFAOYSA-N

222624

数据于2024-07-17公开中

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