
 CHEMBL3361427

 65 67  0  0  0  0  0  0  0  0999 V2000
   -3.0874    1.4563    3.9356 C   0  0  0  0  0
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    1.5042   -2.5209    2.4860 H   0  0  0  0  0
    1.3600   -0.9218    1.7579 H   0  0  0  0  0
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    3.5035   -6.3618    2.1687 H   0  0  0  0  0
  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3361427

>  <PubChem CID>
118724987

>  <Formula>
C22H36N6O

>  <Molecular Weight>
400.571000

>  <IUPAC Name>
N-[[4-anilino-1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)CN2CCC(CC2)(CNC(=O)CN=C(N)N)NC3=CC=CC=C3

>  <Isomeric SMILES>
C1CCC(CC1)CN2CCC(CC2)(CNC(=O)CN=C(N)N)NC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C22H36N6O/c23-21(24)25-15-20(29)26-17-22(27-19-9-5-2-6-10-19)11-13-28(14-12-22)16-18-7-3-1-4-8-18/h2,5-6,9-10,18,27H,1,3-4,7-8,11-17H2,(H,26,29)(H4,23,24,25)

>  <InChI Key>
ADCQVZYOHBEEDR-UHFFFAOYSA-N

