
 CHEMBL3600813

 57 60  0  0  0  0  0  0  0  0999 V2000
   -0.6470    1.4758    1.4963 C   0  0  0  0  0
    0.4080    0.9602    2.4625 C   0  0  0  0  0
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    7.0866   -3.6738   -1.1474 C   0  0  0  0  0
    7.1305   -3.4343   -2.5790 N   0  0  0  0  0
    7.0897   -4.4900   -3.4650 C   0  0  0  0  0
    7.0717   -5.6673   -3.1190 O   0  0  0  0  0
    7.0311   -4.1291   -4.9067 C   0  0  0  0  0
    6.3539   -4.9786   -5.7831 C   0  0  0  0  0
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    6.9460   -3.5498   -7.6834 C   0  0  0  0  0
    7.6412   -2.7223   -6.7830 C   0  0  0  0  0
    7.6731   -2.9939   -5.4089 C   0  0  0  0  0
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    7.0733   -2.9607  -11.9572 C   0  0  0  0  0
    7.3055   -4.2122  -11.4021 C   0  0  0  0  0
    7.2537   -4.3736  -10.0140 C   0  0  0  0  0
    7.1571   -2.7524  -13.6624 Cl  0  0  0  0  0
    6.2211   -0.6486   -8.8399 Cl  0  0  0  0  0
   -1.5597    0.8739    1.5586 H   0  0  0  0  0
   -0.9097    2.5132    1.7329 H   0  0  0  0  0
    0.1886   -0.0808    2.7301 H   0  0  0  0  0
    0.4458    1.5456    3.3862 H   0  0  0  0  0
    2.1041    2.0601    1.7146 H   0  0  0  0  0
    2.4457    0.3456    2.0730 H   0  0  0  0  0
    0.1573    2.4131   -0.2655 H   0  0  0  0  0
   -0.6435    0.8638   -0.5932 H   0  0  0  0  0
    2.5371    2.0624   -0.6758 H   0  0  0  0  0
    1.7961    0.8542   -1.7033 H   0  0  0  0  0
    4.6705    1.5639    0.4563 H   0  0  0  0  0
    6.6503    0.1210    0.6040 H   0  0  0  0  0
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    7.4652   -5.3624   -9.6086 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
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  9 10  2  0  0  0
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 29 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3600813

>  <PubChem CID>
60130301

>  <Formula>
C26H26Cl2N2O

>  <Molecular Weight>
453.407000

>  <IUPAC Name>
4-(2,4-dichlorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(C1)CC2=CC=C(C=C2)CCNC(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1CCN(C1)CC2=CC=C(C=C2)CCNC(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C26H26Cl2N2O/c27-23-11-12-24(25(28)17-23)21-7-9-22(10-8-21)26(31)29-14-13-19-3-5-20(6-4-19)18-30-15-1-2-16-30/h3-12,17H,1-2,13-16,18H2,(H,29,31)

>  <InChI Key>
ANMQAQFNKUNVSE-UHFFFAOYSA-N

