
 CHEMBL112682

 77 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL112682

>  <PubChem CID>
9914964

>  <Formula>
C31H38N4O4

>  <Molecular Weight>
530.669000

>  <IUPAC Name>
N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=O)C4=C(N3)C(=CC=C4)O

>  <Isomeric SMILES>
CCCCCN(CCCCC)C(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=O)C4=C(N3)C(=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C31H38N4O4/c1-3-5-9-16-35(17-10-6-4-2)31(39)26(18-21-20-32-24-14-8-7-12-22(21)24)34-30(38)25-19-28(37)23-13-11-15-27(36)29(23)33-25/h7-8,11-15,19-20,26,32,36H,3-6,9-10,16-18H2,1-2H3,(H,33,37)(H,34,38)/t26-/m1/s1

>  <InChI Key>
BYIBEZIVVZSAAH-AREMUKBSSA-N

