
 CHEMBL255430

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL255430

>  <PubChem CID>
44447731

>  <Formula>
C31H38N4O

>  <Molecular Weight>
482.672000

>  <IUPAC Name>
(2,6-dimethylphenyl)-[4-methyl-4-[4-(N-pyridin-4-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C31H38N4O/c1-24-8-7-9-25(2)29(24)30(36)33-22-16-31(3,17-23-33)34-20-14-28(15-21-34)35(26-10-5-4-6-11-26)27-12-18-32-19-13-27/h4-13,18-19,28H,14-17,20-23H2,1-3H3

>  <InChI Key>
SFGOPQWPBVPWRW-UHFFFAOYSA-N

