
 CHEMBL323172

 69 72  0  0  0  0  0  0  0  0999 V2000
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    1.4761    6.0815    7.0226 Br  0  0  0  0  0
    0.5841   -1.6380   -5.8618 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL323172

>  <PubChem CID>
9574357

>  <Formula>
C27H35BrN4O2

>  <Molecular Weight>
527.507000

>  <IUPAC Name>
[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethylpyridin-3-yl)methanone

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25+

>  <InChI Key>
YZDKZEBRKKYLLA-QCWLDUFUSA-N

