
 CHEMBL106573

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL106573

>  <PubChem CID>
9579317

>  <Formula>
C33H38BrN3O2

>  <Molecular Weight>
588.590000

>  <IUPAC Name>
[4-[4-[(Z)-C-(4-bromophenyl)-N-phenoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone

>  <XlogP>
7.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)C(=NOC4=CC=CC=C4)C5=CC=C(C=C5)Br

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)/C(=N/OC4=CC=CC=C4)/C5=CC=C(C=C5)Br

>  <InChI Std. ID>
InChI=1S/C33H38BrN3O2/c1-24-8-7-9-25(2)30(24)32(38)36-22-18-33(3,19-23-36)37-20-16-27(17-21-37)31(26-12-14-28(34)15-13-26)35-39-29-10-5-4-6-11-29/h4-15,27H,16-23H2,1-3H3/b35-31+

>  <InChI Key>
YPMFIWOXCFWBQO-JSLDZMDGSA-N

