
 CHEMBL134294

113115  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL134294

>  <PubChem CID>
10532418

>  <Formula>
C39H65N7O2

>  <Molecular Weight>
663.996000

>  <IUPAC Name>
11-[5-[6-[8-[6-aminohexyl(methyl)amino]octyl-methylamino]hexylamino]pentanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

>  <XlogP>
4.900

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(CCCCCCCCN(C)CCCCCCNCCCCC(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3)CCCCCCN

>  <Isomeric SMILES>
CN(CCCCCCCCN(C)CCCCCCNCCCCC(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3)CCCCCCN

>  <InChI Std. ID>
InChI=1S/C39H65N7O2/c1-44(32-19-9-5-14-26-40)30-17-7-3-4-8-18-31-45(2)33-20-10-6-15-27-41-28-16-13-25-37(47)46-36-24-12-11-22-34(36)39(48)43-35-23-21-29-42-38(35)46/h11-12,21-24,29,41H,3-10,13-20,25-28,30-33,40H2,1-2H3,(H,43,48)

>  <InChI Key>
ACBSCMINIXTYQI-UHFFFAOYSA-N

