ID: ALA1421321

Max Phase: Preclinical

Molecular Formula: C15H15FN4O3

Molecular Weight: 318.31

Molecule Type: Small molecule

Representations

Canonical SMILES:  CCn1c(Oc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C

Standard InChI:  InChI=1S/C15H15FN4O3/c1-4-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-10-7-5-9(16)6-8-10/h5-8H,4H2,1-3H3

Standard InChI Key:  FOVJULHTQMOCFQ-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: 318.31

Molecular Weight (Monoisotopic): 318.1128

AlogP: 1.38

#Rotatable Bonds: 3

Polar Surface Area: 71.05

Molecular Species: NEUTRAL

HBA: 7

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 7

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 2.14

CX LogD: 2.14

Aromatic Rings: 3

Heavy Atoms: 23

QED Weighted: 0.73

Np Likeness Score: -1.51

References

1. PubChem BioAssay data set, 

Source

Source(1):

• PubChem BioAssays