
 CHEMBL3091690

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3091690

>  <PubChem CID>
72546062

>  <Formula>
C29H37N5

>  <Molecular Weight>
455.650000

>  <IUPAC Name>
N'-[[(3R)-2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3CC5=CC=NC=C5

>  <Isomeric SMILES>
C1C[C@@H](C2=C(C1)C=CC=N2)N(CCCCN)C[C@H]3CC4=CC=CC=C4CN3CC5=CC=NC=C5

>  <InChI Std. ID>
InChI=1S/C29H37N5/c30-14-3-4-18-33(28-11-5-9-24-10-6-15-32-29(24)28)22-27-19-25-7-1-2-8-26(25)21-34(27)20-23-12-16-31-17-13-23/h1-2,6-8,10,12-13,15-17,27-28H,3-5,9,11,14,18-22,30H2/t27-,28+/m1/s1

>  <InChI Key>
BGWQKCHJKBRVRX-IZLXSDGUSA-N

