ID: ALA5290589

Max Phase: Preclinical

Molecular Formula: C15H15BFNO3

Molecular Weight: 287.10

Representations

Canonical SMILES:  Cc1c(Oc2ccc(CN)cc2F)ccc2c1B(O)OC2

Standard InChI:  InChI=1S/C15H15BFNO3/c1-9-13(5-3-11-8-20-16(19)15(9)11)21-14-4-2-10(7-18)6-12(14)17/h2-6,19H,7-8,18H2,1H3

Standard InChI Key:  ZCITXZXBLWIHHP-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 287.10

Molecular Weight (Monoisotopic): 287.1129

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Feng Y, LoGrasso PV, Defert O, Li R..  (2016)  Rho Kinase (ROCK) Inhibitors and Their Therapeutic Potential.,  59  (6): [PMID:26486225] [10.1021/acs.jmedchem.5b00683]

Source

Source(1):

• Scientific Literature