N1,N2-bis(1-phenylethylidene)ethane-1,2-diamine

ID: ALA2238550

Cas Number: 142968-04-5

PubChem CID: 11414406

Max Phase: Preclinical

Molecular Formula: C18H20N2

Molecular Weight: 264.37

Molecule Type: Small molecule

This compound is available for customization.

Associated Items:

Names and Identifiers

Canonical SMILES:  C/C(=N\CC/N=C(\C)c1ccccc1)c1ccccc1

Standard InChI:  InChI=1S/C18H20N2/c1-15(17-9-5-3-6-10-17)19-13-14-20-16(2)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3/b19-15+,20-16+

Standard InChI Key:  CJZHJLMNWUXAAA-MXWIWYRXSA-N

Molfile:  

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   21.3744  -12.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0828  -13.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7898  -12.7734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4982  -13.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2053  -12.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9136  -13.1787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6207  -12.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3290  -13.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3261  -13.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0336  -14.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7417  -13.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7378  -13.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0297  -12.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0841  -14.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6194  -11.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3754  -11.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6679  -11.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9598  -11.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9638  -12.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6718  -13.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  2 14  1  0
  7 15  1  0
  1 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  1  1  0
M  END

Associated Targets(non-human)

Gaa Acidic alpha-glucosidase (551 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 264.37Molecular Weight (Monoisotopic): 264.1626AlogP: 4.00#Rotatable Bonds: 5
Polar Surface Area: 24.72Molecular Species: NEUTRALHBA: 2HBD:
#RO5 Violations: HBA (Lipinski): 2HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 6.73CX LogP: 3.36CX LogD: 3.28
Aromatic Rings: 2Heavy Atoms: 20QED Weighted: 0.58Np Likeness Score: -0.17

References

1. Misra S, Pandeya KB, Tiwari AK, Ali AZ, Saradamani T, Agawane SB, Madhusudana K.  (2011)  Antihyperglycemic, -glucosidase inhibitory and DPPH free radical scavenging activity of 5-bromosalicylaldehyde and schiff bases,  20  (9): [10.1007/s00044-010-9377-3]

Source