
 CHEMBL3361419

 67 69  0  0  0  0  0  0  0  0999 V2000
    2.9370   -5.5898   -2.1496 C   0  0  0  0  0
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   11.2173    1.9141   -0.0974 H   0  0  0  0  0
   12.5195    3.1017   -1.8195 H   0  0  0  0  0
   12.5024    2.2993   -4.1678 H   0  0  0  0  0
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    0.9311   -0.5201   -4.7785 H   0  0  0  0  0
  1  2  1  0  0  0
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 33 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3361419

>  <PubChem CID>
118724980

>  <Formula>
C24H34N6O3

>  <Molecular Weight>
454.575000

>  <IUPAC Name>
N-[[1-benzyl-4-(3,5-dimethoxyanilino)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC(=CC(=C1)NC2(CCN(CC2)CC3=CC=CC=C3)CNC(=O)CN=C(N)N)OC

>  <Isomeric SMILES>
COC1=CC(=CC(=C1)NC2(CCN(CC2)CC3=CC=CC=C3)CNC(=O)CN=C(N)N)OC

>  <InChI Std. ID>
InChI=1S/C24H34N6O3/c1-32-20-12-19(13-21(14-20)33-2)29-24(17-28-22(31)15-27-23(25)26)8-10-30(11-9-24)16-18-6-4-3-5-7-18/h3-7,12-14,29H,8-11,15-17H2,1-2H3,(H,28,31)(H4,25,26,27)

>  <InChI Key>
ADVZHMYYGIKXKT-UHFFFAOYSA-N

