
 CHEMBL471514

 58 61  0  0  0  0  0  0  0  0999 V2000
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    1.3670    1.1152   -1.8808 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL471514

>  <PubChem CID>
11554989

>  <Formula>
C24H24ClF3N4O2

>  <Molecular Weight>
492.927000

>  <IUPAC Name>
2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)pyridin-2-yl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1NC(=O)COC2=CC(=CC=C2)Cl)CC3=CN(C=C3)C4=NC=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CN(CCC1NC(=O)COC2=CC(=CC=C2)Cl)CC3=CN(C=C3)C4=NC=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H24ClF3N4O2/c25-19-2-1-3-21(12-19)34-16-23(33)30-20-7-9-31(10-8-20)14-17-6-11-32(15-17)22-5-4-18(13-29-22)24(26,27)28/h1-6,11-13,15,20H,7-10,14,16H2,(H,30,33)

>  <InChI Key>
ADXBHAQACCRLQO-UHFFFAOYSA-N

