
 CHEMBL3735911

 70 73  0  0  0  0  0  0  0  0999 V2000
    1.3784    0.0720    1.2106 C   0  0  0  0  0
    2.5312   -0.0277    0.3794 O   0  0  0  0  0
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    0.8784   12.7366   -2.1501 O   0  0  0  0  0
    3.0823    0.7656   -2.1055 O   0  0  0  0  0
    3.7504    0.8948   -3.3524 C   0  0  0  0  0
    0.7227    0.8875    0.8886 H   0  0  0  0  0
    1.6543    0.1891    2.2635 H   0  0  0  0  0
    0.8216   -0.8647    1.1206 H   0  0  0  0  0
    4.4872    3.1059   -2.2670 H   0  0  0  0  0
    4.6393    3.6864    1.9871 H   0  0  0  0  0
    3.4007    1.5966    2.3308 H   0  0  0  0  0
    6.0493    4.7141   -1.2603 H   0  0  0  0  0
    6.0470    5.0350    0.4599 H   0  0  0  0  0
    3.8609    6.1029    0.3734 H   0  0  0  0  0
    3.6281    5.7348   -1.3275 H   0  0  0  0  0
    4.8093    7.8137   -2.9904 H   0  0  0  0  0
    5.5015    6.2358   -2.7556 H   0  0  0  0  0
    7.6151    7.1766   -1.8929 H   0  0  0  0  0
    6.9875    8.8103   -2.0403 H   0  0  0  0  0
    6.6097    8.3644   -4.5436 H   0  0  0  0  0
    7.4121    6.8206   -4.3398 H   0  0  0  0  0
    9.8538    6.7094   -3.9146 H   0  0  0  0  0
   12.1148   10.3257   -4.4962 H   0  0  0  0  0
   10.0344   11.6199   -4.5742 H   0  0  0  0  0
    7.8476   10.5049   -4.3208 H   0  0  0  0  0
   14.1784    7.4068   -3.6094 H   0  0  0  0  0
   13.3654    8.7813   -2.8503 H   0  0  0  0  0
   13.8128    8.8231   -4.5989 H   0  0  0  0  0
    3.7397    8.2956    0.3540 H   0  0  0  0  0
    3.1968    8.2419   -1.3174 H   0  0  0  0  0
    5.0139    9.9441   -1.8914 H   0  0  0  0  0
    5.5190    9.9398   -0.2085 H   0  0  0  0  0
    2.8446   10.9106   -2.6163 H   0  0  0  0  0
    2.3129   12.6617    2.0310 H   0  0  0  0  0
    4.0891   10.9872    1.5374 H   0  0  0  0  0
   -0.9115   13.3155   -1.2826 H   0  0  0  0  0
    0.2244   14.6376   -1.6495 H   0  0  0  0  0
    3.4067    0.0835   -4.0028 H   0  0  0  0  0
    4.8357    0.7934   -3.2376 H   0  0  0  0  0
    3.4923    1.8405   -3.8414 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
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 35 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3735911

>  <PubChem CID>
127035064

>  <Formula>
C29H35NO5

>  <Molecular Weight>
477.601000

>  <IUPAC Name>
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)propan-1-amine

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=C(C=C(C=C1)CCN(CCCC2=CC(=CC=C2)OC)CCC3=CC4=C(C=C3)OCO4)OC

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)CCN(CCCC2=CC(=CC=C2)OC)CCC3=CC4=C(C=C3)OCO4)OC

>  <InChI Std. ID>
InChI=1S/C29H35NO5/c1-31-25-8-4-6-22(18-25)7-5-15-30(16-13-23-9-11-26(32-2)28(19-23)33-3)17-14-24-10-12-27-29(20-24)35-21-34-27/h4,6,8-12,18-20H,5,7,13-17,21H2,1-3H3

>  <InChI Key>
AFSOLQMDOYDYJP-UHFFFAOYSA-N

