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A1AE7

Summary
Name:(6M)-6-(6-fluoro-1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-benzotriazole
Formula:C20 H21 F N6
Formal charge:0
Formula weight:364.419 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(6M)-6-(6-fluoro-1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-benzotriazole
OpenEye OEToolkits2.0.76-(6-fluoranyl-1~{H}-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cc2[NH]cc(c3ccc4nnn(CCN5CCNCC5)c4c3)c2cc1
InChIInChI1.06InChI=1S/C20H21FN6/c21-15-2-3-16-17(13-23-19(16)12-15)14-1-4-18-20(11-14)27(25-24-18)10-9-26-7-5-22-6-8-26/h1-4,11-13,22-23H,5-10H2
InChIKeyInChI1.06NWBMXBXPSXUWBK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc2c([nH]cc2c3ccc4nnn(CCN5CCNCC5)c4c3)c1
SMILESCACTVS3.385Fc1ccc2c([nH]cc2c3ccc4nnn(CCN5CCNCC5)c4c3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(cc1c3c[nH]c4c3ccc(c4)F)n(nn2)CCN5CCNCC5
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc1c3c[nH]c4c3ccc(c4)F)n(nn2)CCN5CCNCC5

249697

PDB entries from 2026-02-25

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