ID: ALA4461557

Max Phase: Preclinical

Molecular Formula: C21H22N2O4

Molecular Weight: 366.42

Molecule Type: Unknown

Representations

Canonical SMILES:  O=C(/C=C/c1ccc(O)cc1)NCCCNC(=O)/C=C/c1ccc(O)cc1

Standard InChI:  InChI=1S/C21H22N2O4/c24-18-8-2-16(3-9-18)6-12-20(26)22-14-1-15-23-21(27)13-7-17-4-10-19(25)11-5-17/h2-13,24-25H,1,14-15H2,(H,22,26)(H,23,27)/b12-6+,13-7+

Standard InChI Key:  UZNZJNJAIMYLNV-PWHKKFIBSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 366.42

Molecular Weight (Monoisotopic): 366.1580

AlogP: 2.45

#Rotatable Bonds: 8

Polar Surface Area: 98.66

Molecular Species: NEUTRAL

HBA: 4

HBD: 4

#RO5 Violations: 0

HBA (Lipinski): 6

HBD (Lipinski): 4

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 9.12

CX Basic pKa:

CX LogP: 2.39

CX LogD: 2.38

Aromatic Rings: 2

Heavy Atoms: 27

QED Weighted: 0.43

Np Likeness Score: 0.06

References

1. Ha JH, Park SN..  (2018)  Dimeric cinnamoylamide analogues for regulation of tyrosinase activity in melanoma cells: A role of diamide-link chain length.,  26  (23-24): [PMID:30446440] [10.1016/j.bmc.2018.10.036]

Source

Source(1):

• Scientific Literature