
 CHEMBL3935099

 80 84  0  0  0  0  0  0  0  0999 V2000
    5.0653    4.5229   -0.2751 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3935099

>  <PubChem CID>
129626107

>  <Formula>
C30H42N6O2

>  <Molecular Weight>
518.706000

>  <IUPAC Name>
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4CCC(CC4)C(=O)NC5CCCCC5

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4CCC(CC4)C(=O)NC5CCCCC5

>  <InChI Std. ID>
InChI=1S/C30H42N6O2/c1-34-16-18-36(19-17-34)28-11-10-25(21-31-28)30(38)33-27-9-5-6-23(20-27)22-35-14-12-24(13-15-35)29(37)32-26-7-3-2-4-8-26/h5-6,9-11,20-21,24,26H,2-4,7-8,12-19,22H2,1H3,(H,32,37)(H,33,38)

>  <InChI Key>
BQTGPSYKLVBZTD-UHFFFAOYSA-N

