
 CHEMBL536747

 87 90  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL536747

>  <PubChem CID>
45263483

>  <Formula>
C35H46ClF2N3

>  <Molecular Weight>
582.221000

>  <IUPAC Name>
1-[3-(2-fluoro-6-phenylphenyl)propyl]-4-[2-(4-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)N1CCC(CC1)C(CN2CCN(CC2)CCCC3=C(C=CC=C3F)C4=CC=CC=C4)C5=CC=C(C=C5)F.Cl

>  <Isomeric SMILES>
CC(C)N1CCC(CC1)C(CN2CCN(CC2)CCCC3=C(C=CC=C3F)C4=CC=CC=C4)C5=CC=C(C=C5)F.Cl

>  <InChI Std. ID>
InChI=1S/C35H45F2N3.ClH/c1-27(2)40-20-17-30(18-21-40)34(29-13-15-31(36)16-14-29)26-39-24-22-38(23-25-39)19-7-11-33-32(10-6-12-35(33)37)28-8-4-3-5-9-28;/h3-6,8-10,12-16,27,30,34H,7,11,17-26H2,1-2H3;1H

>  <InChI Key>
BAQYWGBCOAKLHX-UHFFFAOYSA-N

