
 CHEMBL235798

 61 64  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0
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  2 34  1  0  0  0
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  4  9  1  0  0  0
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  6 11  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
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 31 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL235798

>  <PubChem CID>
23653113

>  <Formula>
C26H29N5O

>  <Molecular Weight>
427.552000

>  <IUPAC Name>
N-[3-(diaminomethylideneamino)propyl]-3-(1H-indol-3-yl)-N-(naphthalen-2-ylmethyl)propanamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C2C=C(C=CC2=C1)CN(CCCN=C(N)N)C(=O)CCC3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
C1=CC=C2C=C(C=CC2=C1)CN(CCCN=C(N)N)C(=O)CCC3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C26H29N5O/c27-26(28)29-14-5-15-31(18-19-10-11-20-6-1-2-7-21(20)16-19)25(32)13-12-22-17-30-24-9-4-3-8-23(22)24/h1-4,6-11,16-17,30H,5,12-15,18H2,(H4,27,28,29)

>  <InChI Key>
AESDVUXZXPNTFN-UHFFFAOYSA-N

