
 CHEMBL3627799

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3627799

>  <PubChem CID>
122192923

>  <Formula>
C26H37N5O2

>  <Molecular Weight>
451.615000

>  <IUPAC Name>
benzyl (3S)-3-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]piperazine-1-carboxylate

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C(=O)OCC4=CC=CC=C4

>  <Isomeric SMILES>
C1C[C@@H](C2=C(C1)C=CC=N2)N(CCCCN)C[C@H]3CN(CCN3)C(=O)OCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H37N5O2/c27-13-4-5-16-30(24-12-6-10-22-11-7-14-29-25(22)24)18-23-19-31(17-15-28-23)26(32)33-20-21-8-2-1-3-9-21/h1-3,7-9,11,14,23-24,28H,4-6,10,12-13,15-20,27H2/t23-,24-/m0/s1

>  <InChI Key>
CZHUHYRWCIYDBB-ZEQRLZLVSA-N

