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XH6

Summary
Name:3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-indazole
Formula:C18 H19 Cl N2 O
Formal charge:0
Formula weight:314.809 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-indazole
OpenEye OEToolkits2.0.73-[(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)methyl]-1~{H}-indazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)c1cc(Cl)c(C)cc1OCc1n[NH]c2ccccc21
InChIInChI1.06InChI=1S/C18H19ClN2O/c1-11(2)14-9-15(19)12(3)8-18(14)22-10-17-13-6-4-5-7-16(13)20-21-17/h4-9,11H,10H2,1-3H3,(H,20,21)
InChIKeyInChI1.06HBOLFNCNYFBJGH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)c1cc(Cl)c(C)cc1OCc2n[nH]c3ccccc23
SMILESCACTVS3.385CC(C)c1cc(Cl)c(C)cc1OCc2n[nH]c3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(c(cc1Cl)C(C)C)OCc2c3ccccc3[nH]n2
SMILESOpenEye OEToolkits2.0.7Cc1cc(c(cc1Cl)C(C)C)OCc2c3ccccc3[nH]n2

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PDB entries from 2026-06-17

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