ID: ALA317989

Max Phase: Preclinical

Molecular Formula: C18H15NO2

Molecular Weight: 277.32

Molecule Type: Small molecule

Representations

Canonical SMILES:  CN(C)C(=O)C1=C(c2ccccc2)c2ccccc2C1=O

Standard InChI:  InChI=1S/C18H15NO2/c1-19(2)18(21)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)17(16)20/h3-11H,1-2H3

Standard InChI Key:  IJCHVACNFLURPB-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 277.32

Molecular Weight (Monoisotopic): 277.1103

AlogP: 2.77

#Rotatable Bonds: 2

Polar Surface Area: 37.38

Molecular Species: NEUTRAL

HBA: 2

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 2.58

CX LogD: 2.58

Aromatic Rings: 2

Heavy Atoms: 21

QED Weighted: 0.79

Np Likeness Score: -0.26

References

1. Barvian M, Panek R, Lu G, Kraker A, Amar A, Hartl B, Hamby J, Showalter H.  (1997)  1-Oxo-3-aryl-1H-indene-2-carboxylic acid derivatives as selective inhibitors of fibroblast growth factor receptor-1 tyrosine kinase,  7  (22): [10.1016/S0960-894X(97)10110-X]

Source

Source(1):

• Scientific Literature