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1HK

Summary
Name:4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol
Formula:C19 H18 N2 O2
Formal charge:0
Formula weight:306.358 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol
OpenEye OEToolkits1.7.64-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxy-phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1OC)CCc2c4c(nn2)c3ccccc3C4
InChIInChI1.03InChI=1S/C19H18N2O2/c1-23-18-10-12(7-9-17(18)22)6-8-16-15-11-13-4-2-3-5-14(13)19(15)21-20-16/h2-5,7,9-10,22H,6,8,11H2,1H3,(H,20,21)
InChIKeyInChI1.03FOIYWUMLZWSWIQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1cc(CCc2[nH]nc3c2Cc4ccccc34)ccc1O
SMILESCACTVS3.370COc1cc(CCc2[nH]nc3c2Cc4ccccc34)ccc1O
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3
SMILESOpenEye OEToolkits1.7.6COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3

219140

PDB entries from 2024-05-01

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