
 CHEMBL3361428

 62 64  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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  6 16  1  0  0  0
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  7  8  1  0  0  0
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  8  9  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3361428

>  <PubChem CID>
118724988

>  <Formula>
C23H32N6O

>  <Molecular Weight>
408.550000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1(CNC(=O)CN=C(N)N)NC2=CC=CC=C2)CCC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1(CNC(=O)CN=C(N)N)NC2=CC=CC=C2)CCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H32N6O/c24-22(25)26-17-21(30)27-18-23(28-20-9-5-2-6-10-20)12-15-29(16-13-23)14-11-19-7-3-1-4-8-19/h1-10,28H,11-18H2,(H,27,30)(H4,24,25,26)

>  <InChI Key>
PZOTWCPFMVXBFR-UHFFFAOYSA-N

