5-Methyl-1-oxo-3-phenyl-1H-indene-2-carboxylic acid methyl ester; compound with 6-methyl-1-oxo-3-phenyl-1H-indene-2-carboxylic acid methyl ester

ID: ALA323564

Max Phase: Preclinical

Molecular Formula: C36H28O6

Molecular Weight: 556.61

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COC(=O)C1=C(c2ccccc2)c2cc(C)ccc2C1=O.COC(=O)C1=C(c2ccccc2)c2ccc(C)cc2C1=O

Standard InChI:  InChI=1S/2C18H14O3/c1-11-8-9-13-14(10-11)15(12-6-4-3-5-7-12)16(17(13)19)18(20)21-2;1-11-8-9-13-14(10-11)17(19)16(18(20)21-2)15(13)12-6-4-3-5-7-12/h2*3-10H,1-2H3

Standard InChI Key:  FMTKVFMCJBIQLL-UHFFFAOYSA-N

Molfile:  

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 42 40  1  0
M  END

Alternative Forms

1. Parent:

   

   ALA323564

   ---

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

Calculated Properties

Molecular Weight: 556.61

Molecular Weight (Monoisotopic): 556.1886

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. 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