
 CHEMBL3091687

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3091687

>  <PubChem CID>
57345320

>  <Formula>
C23H32N4

>  <Molecular Weight>
364.537000

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

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3

>  <Isomeric SMILES>
C1C[C@@H](C2=C(C1)C=CC=N2)N(CCCCN)C[C@H]3CC4=CC=CC=C4CN3

>  <InChI Std. ID>
InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1

>  <InChI Key>
MYCKNKHATQGHEV-YADHBBJMSA-N

