
 CHEMBL2346781

 72 75  0  0  0  0  0  0  0  0999 V2000
    2.3298    1.0866    2.9805 C   0  0  0  0  0
    3.3540    1.1806    1.9897 O   0  0  0  0  0
    3.7245    2.4396    1.6508 C   0  0  0  0  0
    3.1994    3.4807    2.0150 O   0  0  0  0  0
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    5.3340    1.2239    0.1305 C   0  0  0  0  0
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    6.9602   -0.0718   -1.2128 N   0  0  0  0  0
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    8.4319   -1.3216    0.3850 C   0  0  0  0  0
    9.7775   -1.8617    0.6628 N   0  0  0  0  0
   10.7907   -0.8154    0.9168 C   0  0  0  0  0
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    4.8789   -0.4583   -2.2002 N   0  0  0  0  0
    3.7813   -1.3032   -2.6201 C   0  0  0  0  0
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    2.4567    0.1299    3.4938 H   0  0  0  0  0
    1.3485    1.1037    2.5010 H   0  0  0  0  0
    2.4115    1.8823    3.7285 H   0  0  0  0  0
    4.6495    0.3803    0.1287 H   0  0  0  0  0
    8.4286    2.1997   -0.8954 H   0  0  0  0  0
    7.7952    4.2031    0.3555 H   0  0  0  0  0
    5.5924    4.3495    1.4781 H   0  0  0  0  0
    9.0428    0.2170   -1.0664 H   0  0  0  0  0
    8.5640   -1.2999   -1.7778 H   0  0  0  0  0
    7.7197   -2.1569    0.3703 H   0  0  0  0  0
    8.0928   -0.6580    1.1888 H   0  0  0  0  0
   10.8164   -0.0788    0.1081 H   0  0  0  0  0
   11.7724   -1.3066    0.8982 H   0  0  0  0  0
   11.4686    0.5824    2.4239 H   0  0  0  0  0
    9.7103    0.4826    2.3193 H   0  0  0  0  0
    9.7290   -2.7543    4.0059 H   0  0  0  0  0
    8.6439   -1.5563    3.2963 H   0  0  0  0  0
   10.6997   -3.3233    1.8388 H   0  0  0  0  0
    8.9612   -3.5146    1.7370 H   0  0  0  0  0
    4.8948    0.5148   -2.4721 H   0  0  0  0  0
    4.1774   -2.1167   -3.2349 H   0  0  0  0  0
    3.1203   -0.6897   -3.2411 H   0  0  0  0  0
    2.6983   -0.9574   -0.8142 H   0  0  0  0  0
    3.7184   -2.3812   -0.7401 H   0  0  0  0  0
    1.3017   -2.1877   -2.5862 H   0  0  0  0  0
    2.6817   -5.0239   -0.3926 H   0  0  0  0  0
    3.4719   -7.1169   -1.3550 H   0  0  0  0  0
    3.5575   -7.4247   -3.8125 H   0  0  0  0  0
    2.8029   -5.5966   -5.3083 H   0  0  0  0  0
    1.9707   -3.4838   -4.3691 H   0  0  0  0  0
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   -2.4016   -1.7050    0.0466 H   0  0  0  0  0
   -1.7595   -2.4240    2.3316 H   0  0  0  0  0
    0.5244   -3.2933    2.7560 H   0  0  0  0  0
    2.1674   -3.4002    0.9405 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
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  8  9  1  0  0  0
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 32 33  2  0  0  0
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 36 37  2  0  0  0
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 37 72  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2346781

>  <PubChem CID>
71579790

>  <Formula>
C30H35N3O4

>  <Molecular Weight>
501.627000

>  <IUPAC Name>
methyl 3-[3,3-diphenylpropylcarbamoyl(2-morpholin-4-ylethyl)amino]benzoate

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC(=O)C1=CC(=CC=C1)N(CCN2CCOCC2)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
COC(=O)C1=CC(=CC=C1)N(CCN2CCOCC2)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C30H35N3O4/c1-36-29(34)26-13-8-14-27(23-26)33(18-17-32-19-21-37-22-20-32)30(35)31-16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,31,35)

>  <InChI Key>
AUQKCFBAJJFPSI-UHFFFAOYSA-N

