ID: ALA4562493

Max Phase: Preclinical

Molecular Formula: C26H33N3O6

Molecular Weight: 483.57

Molecule Type: Unknown

Representations

Canonical SMILES:  CCCCC[C@@H](C(=O)NCNC(=O)c1cc(C(=O)O)cc(-c2ccccc2)c1)[C@@H](CC)N(O)C=O

Standard InChI:  InChI=1S/C26H33N3O6/c1-3-5-7-12-22(23(4-2)29(35)17-30)25(32)28-16-27-24(31)20-13-19(14-21(15-20)26(33)34)18-10-8-6-9-11-18/h6,8-11,13-15,17,22-23,35H,3-5,7,12,16H2,1-2H3,(H,27,31)(H,28,32)(H,33,34)/t22-,23-/m1/s1

Standard InChI Key:  FURGAXLPHVAPPJ-DHIUTWEWSA-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: 483.57

Molecular Weight (Monoisotopic): 483.2369

AlogP: 3.68

#Rotatable Bonds: 14

Polar Surface Area: 136.04

Molecular Species: ACID

HBA: 5

HBD: 4

#RO5 Violations: 0

HBA (Lipinski): 9

HBD (Lipinski): 4

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 3.81

CX Basic pKa:

CX LogP: 3.82

CX LogD: 0.51

Aromatic Rings: 2

Heavy Atoms: 35

QED Weighted: 0.11

Np Likeness Score: 0.02

References

1.  (2017)  Hydroxy formamide derivatives and their use, 

Source

Source(1):

• Patent Bioactivity Data