
 CHEMBL140484

 82 86  0  0  0  0  0  0  0  0999 V2000
    9.4698    6.9252   -3.4567 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL140484

>  <PubChem CID>
6532436

>  <Formula>
C34H41BrN4O2

>  <Molecular Weight>
617.632000

>  <IUPAC Name>
[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethyl-4-pyridin-4-ylphenyl)methanone

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCON=C(C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C(C=C3C)C4=CC=NC=C4)C)C)C5=CC=C(C=C5)Br

>  <Isomeric SMILES>
CCO/N=C(\C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C(C=C3C)C4=CC=NC=C4)C)C)/C5=CC=C(C=C5)Br

>  <InChI Std. ID>
InChI=1S/C34H41BrN4O2/c1-5-41-37-32(27-6-8-30(35)9-7-27)28-12-18-39(19-13-28)34(4)14-20-38(21-15-34)33(40)31-24(2)22-29(23-25(31)3)26-10-16-36-17-11-26/h6-11,16-17,22-23,28H,5,12-15,18-21H2,1-4H3/b37-32-

>  <InChI Key>
AKHBRWYRHRLXTB-FTTXPQLCSA-N

