
 CHEMBL3758684

 59 61  0  0  0  0  0  0  0  0999 V2000
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    5.0119    1.2162    2.2319 H   0  0  0  0  0
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    6.6982   -2.5250    1.7402 H   0  0  0  0  0
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  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
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  6  7  2  0  0  0
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  7  8  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3758684

>  <PubChem CID>
127026144

>  <Formula>
C23H30ClN3O2

>  <Molecular Weight>
415.962000

>  <IUPAC Name>
1-(3-chlorophenyl)-3-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]urea

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C1=CC=CC=C1OCCN2CCC(CC2)NC(=O)NC3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
CC(C)C1=CC=CC=C1OCCN2CCC(CC2)NC(=O)NC3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C23H30ClN3O2/c1-17(2)21-8-3-4-9-22(21)29-15-14-27-12-10-19(11-13-27)25-23(28)26-20-7-5-6-18(24)16-20/h3-9,16-17,19H,10-15H2,1-2H3,(H2,25,26,28)

>  <InChI Key>
AIIBCWUCPICMSV-UHFFFAOYSA-N

