
 CHEMBL452298

 66 69  0  0  0  0  0  0  0  0999 V2000
    5.2220   -3.1842   -2.2191 C   0  0  0  0  0
    3.7942   -3.4834   -2.3472 N   0  0  0  0  0
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    4.2154   -4.7162   -4.4208 C   0  0  0  0  0
    1.9622   -6.7801   -6.9885 Cl  0  0  0  0  0
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    2.1619   -2.4605    1.9076 H   0  0  0  0  0
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    1.9369   -9.1179    0.3194 H   0  0  0  0  0
   -0.1049  -10.4720    0.1907 H   0  0  0  0  0
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    8.9452   -4.6432    9.3022 H   0  0  0  0  0
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    1.2644   -4.3991   -2.7969 H   0  0  0  0  0
    4.4959   -5.7820   -6.2719 H   0  0  0  0  0
    5.2703   -4.4553   -4.4053 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
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  2 28  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  6  1  0  0  0
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 33 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL452298

>  <PubChem CID>
44561195

>  <Formula>
C28H31Cl2N3O2

>  <Molecular Weight>
512.475000

>  <IUPAC Name>
2-(3,4-dichloro-N-methylanilino)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC(=O)N(C)C(CN1CCOCC1)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
CN(CC(=O)N(C)C(CN1CCOCC1)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C28H31Cl2N3O2/c1-31(24-12-13-25(29)26(30)18-24)20-28(34)32(2)27(19-33-14-16-35-17-15-33)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-13,18,27H,14-17,19-20H2,1-2H3

>  <InChI Key>
ALINQGUROWXGAJ-UHFFFAOYSA-N

