
 CHEMBL3353472

 62 64  0  0  0  0  0  0  0  0999 V2000
    2.4472    0.3121    2.7290 C   0  0  0  0  0
    2.7609   -1.1399    2.9407 C   0  0  0  0  0
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    4.2339  -13.5695   -3.4387 Cl  0  0  0  0  0
    3.8325   -3.4342    5.7797 C   0  0  0  0  0
    1.6770    0.4348    1.9604 H   0  0  0  0  0
    3.3486    0.8507    2.4221 H   0  0  0  0  0
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    6.1274   -7.3668    2.2983 H   0  0  0  0  0
    4.7029   -6.3819    2.5675 H   0  0  0  0  0
    1.5350   -7.6252    0.2970 H   0  0  0  0  0
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    2.9736   -3.3908    6.4559 H   0  0  0  0  0
    4.6422   -2.8171    6.1828 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
  2  7  1  0  0  0
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  3  4  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
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  9 10  2  0  0  0
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 32 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3353472

>  <PubChem CID>
68176100

>  <Formula>
C25H30ClN3O3

>  <Molecular Weight>
455.983000

>  <IUPAC Name>
N-(3-amino-3-oxopropyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carboxamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC(=C1)CC(=O)N2CCC2(C)C(=O)N(CCC(=O)N)CC3=CC=C(C=C3)Cl)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)CC(=O)N2CCC2(C)C(=O)N(CCC(=O)N)CC3=CC=C(C=C3)Cl)C

>  <InChI Std. ID>
InChI=1S/C25H30ClN3O3/c1-17-12-18(2)14-20(13-17)15-23(31)29-11-9-25(29,3)24(32)28(10-8-22(27)30)16-19-4-6-21(26)7-5-19/h4-7,12-14H,8-11,15-16H2,1-3H3,(H2,27,30)

>  <InChI Key>
HWZHNAOPOQCYSL-UHFFFAOYSA-N

