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O1Q

Summary
Name:4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
Formula:C23 H16 Cl N7
Formal charge:0
Formula weight:425.873 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H16ClN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27)
InChIKeyInChI1.03CSVTXOXVXICQEG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(c1)n2nccc2c3cc(Cl)c4nnn(c5ccc6cn[nH]c6c5)c4c3
SMILESCACTVS3.385Cc1cccc(c1)n2nccc2c3cc(Cl)c4nnn(c5ccc6cn[nH]c6c5)c4c3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5

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PDB entries from 2024-07-17

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