ID: ALA606074

Max Phase: Preclinical

Molecular Formula: C10H13FN2O6

Molecular Weight: 276.22

Molecule Type: Small molecule

Representations

Canonical SMILES:  Cc1c(F)c(=O)[nH]c(=O)n1C1O[C@H](CO)[C@@H](O)[C@H]1O

Standard InChI:  InChI=1S/C10H13FN2O6/c1-3-5(11)8(17)12-10(18)13(3)9-7(16)6(15)4(2-14)19-9/h4,6-7,9,14-16H,2H2,1H3,(H,12,17,18)/t4-,6-,7-,9?/m1/s1

Standard InChI Key:  AHYNVQRUJCURSM-HSRVFOSPSA-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: 276.22

Molecular Weight (Monoisotopic): 276.0758

AlogP: -2.40

#Rotatable Bonds: 2

Polar Surface Area: 124.78

Molecular Species: NEUTRAL

HBA: 7

HBD: 4

#RO5 Violations: 0

HBA (Lipinski): 8

HBD (Lipinski): 4

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 8.36

CX Basic pKa:

CX LogP: -2.01

CX LogD: -2.06

Aromatic Rings: 1

Heavy Atoms: 19

QED Weighted: 0.48

Np Likeness Score: 0.49

References

1. Felczak K, Drabikowska AK, Vilpo JA, Kulikowski T, Shugar D..  (1996)  6-Substituted and 5,6-disubstituted derivatives of uridine: stereoselective synthesis, interaction with uridine phosphorylase, and in vitro antitumor activity.,  39  (8): [PMID:8648611] [10.1021/jm950675q]

Source

Source(1):

• Scientific Literature