
 CHEMBL106767

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL106767

>  <PubChem CID>
9574359

>  <Formula>
C27H34BrN3O3

>  <Molecular Weight>
528.491000

>  <IUPAC Name>
[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2-hydroxy-6-methylphenyl)methanone

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=CC=C1)O)C(=O)N2CCC(CC2)(C)N3CCC(CC3)C(=NOC)C4=CC=C(C=C4)Br

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)O)C(=O)N2CCC(CC2)(C)N3CCC(CC3)/C(=N/OC)/C4=CC=C(C=C4)Br

>  <InChI Std. ID>
InChI=1S/C27H34BrN3O3/c1-19-5-4-6-23(32)24(19)26(33)30-17-13-27(2,14-18-30)31-15-11-21(12-16-31)25(29-34-3)20-7-9-22(28)10-8-20/h4-10,21,32H,11-18H2,1-3H3/b29-25+

>  <InChI Key>
JLFLNZCJUVHUGI-XLVZBRSZSA-N

