
 J3.522.165D

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M  END

>  <Chemical Name>
J3.522.165D

>  <PubChem CID>
122177643

>  <Formula>
C35H48N6O5

>  <Molecular Weight>
632.806000

>  <IUPAC Name>
4-[3-(1-butyltriazol-4-yl)propoxy]-N-[4-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl-propylamino]butyl]-3-methoxybenzamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCCN1C=C(N=N1)CCCOC2=C(C=C(C=C2)C(=O)NCCCCN(CCC)CCC3=C4C=CC(=O)NC4=C(C=C3)O)OC

>  <Isomeric SMILES>
CCCCN1C=C(N=N1)CCCOC2=C(C=C(C=C2)C(=O)NCCCCN(CCC)CCC3=C4C=CC(=O)NC4=C(C=C3)O)OC

>  <InChI Std. ID>
InChI=1S/C35H48N6O5/c1-4-6-21-41-25-28(38-39-41)10-9-23-46-31-15-12-27(24-32(31)45-3)35(44)36-18-7-8-20-40(19-5-2)22-17-26-11-14-30(42)34-29(26)13-16-33(43)37-34/h11-16,24-25,42H,4-10,17-23H2,1-3H3,(H,36,44)(H,37,43)

>  <InChI Key>
BOUDGQUEAMMTAE-UHFFFAOYSA-N

