
 CHEMBL164586

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

>  <Chemical Name>
CHEMBL164586

>  <PubChem CID>
44377691

>  <Formula>
C29H38N4O2S

>  <Molecular Weight>
506.709000

>  <IUPAC Name>
N-[2-[4-[[(3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(CC2=C(C1)C=CC(=C2)N)NCC3CCN(CC3)CCNS(=O)(=O)C4=CC=CC5=CC=CC=C54

>  <Isomeric SMILES>
C1CC(CC2=C(C1)C=CC(=C2)N)NCC3CCN(CC3)CCNS(=O)(=O)C4=CC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C29H38N4O2S/c30-26-12-11-23-6-3-8-27(20-25(23)19-26)31-21-22-13-16-33(17-14-22)18-15-32-36(34,35)29-10-4-7-24-5-1-2-9-28(24)29/h1-2,4-5,7,9-12,19,22,27,31-32H,3,6,8,13-18,20-21,30H2

>  <InChI Key>
BBZYLZUPRQGZEQ-UHFFFAOYSA-N

