
 SCHEMBL9927494

 66 67  0  0  0  0  0  0  0  0999 V2000
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    3.8579    0.2037    2.8489 H   0  0  0  0  0
    4.1555    0.9129   -0.1273 H   0  0  0  0  0
    2.4272    2.2421    2.0376 H   0  0  0  0  0
    1.8209    1.3621    0.6191 H   0  0  0  0  0
    2.6748    2.8821    0.4133 H   0  0  0  0  0
    5.8529    1.5866    1.8260 H   0  0  0  0  0
    6.8189    3.5125    2.1147 H   0  0  0  0  0
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    6.0905    5.4283    3.2823 H   0  0  0  0  0
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    6.0864    8.3614    0.9325 H   0  0  0  0  0
    6.6215    7.4694   -0.4961 H   0  0  0  0  0
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    9.3466    6.3728   -2.6135 H   0  0  0  0  0
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   11.7516    3.8379   -3.3716 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL9927494

>  <PubChem CID>
57889188

>  <Formula>
C23H36ClN3O3

>  <Molecular Weight>
438.009000

>  <IUPAC Name>
1-[(2R)-butan-2-yl]-3-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(C)NC(=O)NC(C(C)C)C(=O)N1CCC(C(C1)(C)C)(C2=CC=C(C=C2)Cl)O

>  <Isomeric SMILES>
CC[C@@H](C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@@](C(C1)(C)C)(C2=CC=C(C=C2)Cl)O

>  <InChI Std. ID>
InChI=1S/C23H36ClN3O3/c1-7-16(4)25-21(29)26-19(15(2)3)20(28)27-13-12-23(30,22(5,6)14-27)17-8-10-18(24)11-9-17/h8-11,15-16,19,30H,7,12-14H2,1-6H3,(H2,25,26,29)/t16-,19-,23+/m1/s1

>  <InChI Key>
AMKRUSAWHXIGES-HFXUHXBXSA-N

