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SummaryGeometryRelated PDB entries

ZKI

Summary
Name:6,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine
Formula:C17 H14 Cl2 N4 O
Formal charge:0
Formula weight:361.225 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine
OpenEye OEToolkits2.0.76,7-bis(chloranyl)-~{N}-[(3~{R})-oxolan-3-yl]-4-pyridin-4-yl-phthalazin-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cc2c(nnc(c3ccncc3)c2cc1Cl)NC1CCOC1
InChIInChI1.06InChI=1S/C17H14Cl2N4O/c18-14-7-12-13(8-15(14)19)17(21-11-3-6-24-9-11)23-22-16(12)10-1-4-20-5-2-10/h1-2,4-5,7-8,11H,3,6,9H2,(H,21,23)/t11-/m1/s1
InChIKeyInChI1.06VPPZBKRTEZMHNH-LLVKDONJSA-N
SMILES_CANONICALCACTVS3.385Clc1cc2c(N[C@@H]3CCOC3)nnc(c4ccncc4)c2cc1Cl
SMILESCACTVS3.385Clc1cc2c(N[CH]3CCOC3)nnc(c4ccncc4)c2cc1Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cnccc1c2c3cc(c(cc3c(nn2)N[C@@H]4CCOC4)Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCOC4)Cl)Cl

250359

PDB entries from 2026-03-11

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