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SKQ

Summary
Name:5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one
Synonyms:GFB-9289
Formula:C14 H19 Cl N4 O2
Formal charge:0
Formula weight:310.779 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H19ClN4O2/c15-13-11(8-16-17-14(13)21)18-6-7-19(12(20)9-18)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,17,21)
InChIKeyInChI1.03XKGWJQQBZFNYMZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ClC1=C(C=NNC1=O)N2CCN(C3CCCCC3)C(=O)C2
SMILESCACTVS3.385ClC1=C(C=NNC1=O)N2CCN(C3CCCCC3)C(=O)C2
SMILES_CANONICALOpenEye OEToolkits2.0.7C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl
SMILESOpenEye OEToolkits2.0.7C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl

221051

PDB entries from 2024-06-12

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