
 CHEMBL1223747

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1223747

>  <PubChem CID>
11590801

>  <Formula>
C24H27F3N4

>  <Molecular Weight>
428.503000

>  <IUPAC Name>
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]quinolin-2-amine

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCN1CCCCNC2=NC3=CC=CC=C3C=C2)C4=CC=CC(=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CN(CCN1CCCCNC2=NC3=CC=CC=C3C=C2)C4=CC=CC(=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-12-28-23-11-10-19-6-1-2-9-22(19)29-23/h1-2,5-11,18H,3-4,12-17H2,(H,28,29)

>  <InChI Key>
AMDRAFDQLSKJMW-UHFFFAOYSA-N

