ID: ALA4589233

Max Phase: Preclinical

Molecular Formula: C26H38N3O9P

Molecular Weight: 567.58

Molecule Type: Unknown

Representations

Canonical SMILES:  CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(P(=O)(O)OC)c2)o1)[C@@H](CC)N(O)C=O

Standard InChI:  InChI=1S/C26H38N3O9P/c1-5-8-9-10-21(22(6-2)29(33)17-30)25(31)27-16-28-26(32)24-12-11-23(38-24)18-13-19(37-7-3)15-20(14-18)39(34,35)36-4/h11-15,17,21-22,33H,5-10,16H2,1-4H3,(H,27,31)(H,28,32)(H,34,35)/t21-,22-/m1/s1

Standard InChI Key:  LQPRTGHIGLIEJO-FGZHOGPDSA-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: 567.58

Molecular Weight (Monoisotopic): 567.2346

AlogP: 3.43

#Rotatable Bonds: 17

Polar Surface Area: 167.64

Molecular Species: ACID

HBA: 8

HBD: 4

#RO5 Violations: 1

HBA (Lipinski): 12

HBD (Lipinski): 4

#RO5 Violations (Lipinski): 2

CX Acidic pKa: 1.86

CX Basic pKa:

CX LogP: 1.82

CX LogD: -0.50

Aromatic Rings: 2

Heavy Atoms: 39

QED Weighted: 0.06

Np Likeness Score: -0.15

References

1.  (2016)  Hydroxy formamide derivatives and their use, 

Source

Source(1):

• Patent Bioactivity Data