
 CHEMBL1788128

 62 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1788128

>  <PubChem CID>
19037250

>  <Formula>
C25H30ClFN4S

>  <Molecular Weight>
473.051000

>  <IUPAC Name>
1-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-diazinane-2-thione

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CNC(=S)N(C1)CCN2CCN(CC2)C3CC(C4=C3C=CC(=C4)Cl)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
C1CNC(=S)N(C1)CCN2CCN(CC2)C3CC(C4=C3C=CC(=C4)Cl)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C25H30ClFN4S/c26-19-4-7-21-23(16-19)22(18-2-5-20(27)6-3-18)17-24(21)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)

>  <InChI Key>
ADJUKJVEVGOWPC-UHFFFAOYSA-N

