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SummaryGeometryRelated PDB entries

539

Summary
Name:6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
Formula:C18 H16 Cl2 N4
Formal charge:0
Formula weight:359.252 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
OpenEye OEToolkits1.9.26,7-bis(chloranyl)-N-cyclopentyl-4-pyridin-4-yl-phthalazin-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3c2c(NC1CCCC1)nnc(c2cc(c3Cl)Cl)c4ccncc4
InChIInChI1.03InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)
InChIKeyInChI1.03ABGOSOMRWSYAOB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1cc2c(NC3CCCC3)nnc(c4ccncc4)c2cc1Cl
SMILESCACTVS3.385Clc1cc2c(NC3CCCC3)nnc(c4ccncc4)c2cc1Cl
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl
SMILESOpenEye OEToolkits1.9.2c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl

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건을2024-07-17부터공개중

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