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AWL

Summary
Name:1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone
Formula:C22 H29 Cl N2 O
Formal charge:0
Formula weight:372.931 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.61-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H29ClN2O/c1-15-2-3-19(23)11-20(15)24-4-6-25(7-5-24)21(26)22-12-16-8-17(13-22)10-18(9-16)14-22/h2-3,11,16-18H,4-10,12-14H2,1H3/t16-,17+,18-,22-
InChIKeyInChI1.03ZIJGUWNTLOYDSF-MAMSFEPMSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(Cl)cc1N2CCN(CC2)C(=O)C34CC5CC(CC(C5)C3)C4
SMILESCACTVS3.385Cc1ccc(Cl)cc1N2CCN(CC2)C(=O)C34CC5CC(CC(C5)C3)C4
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc(cc1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl
SMILESOpenEye OEToolkits2.0.6Cc1ccc(cc1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl

218853

PDB entries from 2024-04-24

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