
 CHEMBL101803

 65 67  0  0  0  0  0  0  0  0999 V2000
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    6.5457   -3.2658    1.3075 H   0  0  0  0  0
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    4.4823   -2.1143    0.4176 H   0  0  0  0  0
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    2.3930    2.7867    0.5507 H   0  0  0  0  0
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    1.2300    2.2866    4.3550 H   0  0  0  0  0
    3.1910    4.5797    3.8046 H   0  0  0  0  0
    3.5312    3.0235    4.5661 H   0  0  0  0  0
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    9.7926    5.0207   -1.3479 H   0  0  0  0  0
   11.6022    6.6470   -1.8575 H   0  0  0  0  0
   11.2222    8.3378   -2.1844 H   0  0  0  0  0
   10.8563    7.1006   -3.4105 H   0  0  0  0  0
  1  2  1  0  0  0
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  5 22  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  6  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL101803

>  <PubChem CID>
44334259

>  <Formula>
C26H33N3O3

>  <Molecular Weight>
435.568000

>  <IUPAC Name>
1-[(2R)-1-(4-benzoylpiperidin-1-yl)-1-oxohexan-2-yl]-3-(3-methylphenyl)urea

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCC(C(=O)N1CCC(CC1)C(=O)C2=CC=CC=C2)NC(=O)NC3=CC=CC(=C3)C

>  <Isomeric SMILES>
CCCC[C@H](C(=O)N1CCC(CC1)C(=O)C2=CC=CC=C2)NC(=O)NC3=CC=CC(=C3)C

>  <InChI Std. ID>
InChI=1S/C26H33N3O3/c1-3-4-13-23(28-26(32)27-22-12-8-9-19(2)18-22)25(31)29-16-14-21(15-17-29)24(30)20-10-6-5-7-11-20/h5-12,18,21,23H,3-4,13-17H2,1-2H3,(H2,27,28,32)/t23-/m1/s1

>  <InChI Key>
ASLCFRWVLZGOAR-HSZRJFAPSA-N

