
 CHEMBL267549

 60 64  0  0  0  0  0  0  0  0999 V2000
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    0.3714   -1.8290    2.6164 H   0  0  0  0  0
    3.0069    2.4795    1.5949 H   0  0  0  0  0
    3.4551    3.1369    5.8139 H   0  0  0  0  0
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    0.5526   -3.1781    4.3522 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
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  8  9  1  0  0  0
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 31 32  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL267549

>  <PubChem CID>
15006460

>  <Formula>
C25H28ClFN4O

>  <Molecular Weight>
454.974000

>  <IUPAC Name>
1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCCN5CCNC5=O

>  <Isomeric SMILES>
C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCCN5CCNC5=O

>  <InChI Std. ID>
InChI=1S/C25H28ClFN4O/c26-19-2-7-24-22(16-19)23(17-31(24)21-5-3-20(27)4-6-21)18-8-13-29(14-9-18)11-1-12-30-15-10-28-25(30)32/h2-7,16-18H,1,8-15H2,(H,28,32)

>  <InChI Key>
CXAQDXCWRCDSDO-UHFFFAOYSA-N

