
 CHEMBL3918137

 71 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3918137

>  <PubChem CID>
59176576

>  <Formula>
C33H31N5O2

>  <Molecular Weight>
529.644000

>  <IUPAC Name>
2-[3-[1-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]propyl]isoindole-1,3-dione

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CC1=NC=CC2=C1N(C3=CC=CC=C23)CCCN4C(=O)C5=CC=CC=C5C4=O)C6CCCC7=C6N=CC=C7

>  <Isomeric SMILES>
CN(CC1=NC=CC2=C1N(C3=CC=CC=C23)CCCN4C(=O)C5=CC=CC=C5C4=O)[C@H]6CCCC7=C6N=CC=C7

>  <InChI Std. ID>
InChI=1S/C33H31N5O2/c1-36(29-15-6-9-22-10-7-17-35-30(22)29)21-27-31-24(16-18-34-27)23-11-4-5-14-28(23)37(31)19-8-20-38-32(39)25-12-2-3-13-26(25)33(38)40/h2-5,7,10-14,16-18,29H,6,8-9,15,19-21H2,1H3/t29-/m0/s1

>  <InChI Key>
CVOFDCHMJDTJQF-LJAQVGFWSA-N

