
 CHEMBL543638

 70 72  0  0  0  0  0  0  0  0999 V2000
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   10.7587    6.5051    3.1527 O   0  0  0  0  0
   10.1802    7.4126    4.0209 C   0  0  0  0  0
    1.6688   -2.7851    5.5953 Cl  0  0  0  0  0
    2.4838   -0.0602    0.2044 H   0  0  0  0  0
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    4.8712   -0.5680    0.3758 H   0  0  0  0  0
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    7.5370   -3.5084   -1.8634 H   0  0  0  0  0
    7.2310   -3.1602   -4.2735 H   0  0  0  0  0
    6.1859   -1.9795   -6.1243 H   0  0  0  0  0
    4.6797   -0.2243   -6.9626 H   0  0  0  0  0
    3.4694    1.2413   -5.3845 H   0  0  0  0  0
    3.7334    0.9691   -2.9775 H   0  0  0  0  0
    5.8857    1.3345   -0.6749 H   0  0  0  0  0
    4.6890    1.4688    1.4712 H   0  0  0  0  0
    3.2404    1.9675    0.5167 H   0  0  0  0  0
    4.4533    3.9639   -0.3376 H   0  0  0  0  0
    2.8892    4.0839    1.5118 H   0  0  0  0  0
    4.1596    5.2590    1.7964 H   0  0  0  0  0
    2.1299    2.9908    3.4186 H   0  0  0  0  0
    2.4668    2.0827    5.6857 H   0  0  0  0  0
    4.7065    2.1550    6.7415 H   0  0  0  0  0
    6.6198    3.1477    5.5225 H   0  0  0  0  0
    6.3129    4.0688    3.2736 H   0  0  0  0  0
    6.7127    3.1404   -0.0085 H   0  0  0  0  0
    6.2342    5.6161    1.5459 H   0  0  0  0  0
    6.3796    5.5126   -0.2360 H   0  0  0  0  0
    8.1120    6.1698    2.7372 H   0  0  0  0  0
   11.0292    4.2963   -0.8064 H   0  0  0  0  0
    8.6044    4.1101   -0.9987 H   0  0  0  0  0
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    9.1828    7.7635    3.6928 H   0  0  0  0  0
   10.8309    8.3095    4.0723 H   0  0  0  0  0
    0.7809   -3.2385    6.5434 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 37  1  0  0  0
  1 38  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  3  4  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL543638

>  <PubChem CID>
45261587

>  <Formula>
C30H35ClN2O2

>  <Molecular Weight>
491.072000

>  <IUPAC Name>
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NCC4=CC(=C(C=C4)OC)OC.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NCC4=CC(=C(C=C4)OC)OC.Cl

>  <InChI Std. ID>
InChI=1S/C30H34N2O2.ClH/c1-22(27-15-9-13-25-12-7-8-14-28(25)27)31-21-26(18-23-10-5-4-6-11-23)32-20-24-16-17-29(33-2)30(19-24)34-3;/h4-17,19,22,26,31-32H,18,20-21H2,1-3H3;1H

>  <InChI Key>
MIRHCBGYXQALMI-UHFFFAOYSA-N

