
 CHEMBL205851

 72 75  0  0  0  0  0  0  0  0999 V2000
    2.2382   -1.5516   -3.0658 C   0  0  0  0  0
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   -0.1505    8.1643    1.7727 H   0  0  0  0  0
    1.4901   10.1160    2.2527 H   0  0  0  0  0
    1.9819    8.4994    2.7227 H   0  0  0  0  0
    2.9066   10.0849    0.2891 H   0  0  0  0  0
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    7.7332    2.0103    1.5051 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL205851

>  <PubChem CID>
11693007

>  <Formula>
C28H35Cl2FN4O2

>  <Molecular Weight>
549.512000

>  <IUPAC Name>
1-acetyl-N-(3,4-dichlorophenyl)-N-[3-[4-(4-fluoroanilino)piperidin-1-yl]propyl]piperidine-4-carboxamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)NC3=CC=C(C=C3)F)C4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)NC3=CC=C(C=C3)F)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C28H35Cl2FN4O2/c1-20(36)34-17-9-21(10-18-34)28(37)35(25-7-8-26(29)27(30)19-25)14-2-13-33-15-11-24(12-16-33)32-23-5-3-22(31)4-6-23/h3-8,19,21,24,32H,2,9-18H2,1H3

>  <InChI Key>
AQKXSWOKSKKJQI-UHFFFAOYSA-N

