N-[3-[4-(difluoromethyl)thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide

ID: ALA4591475

Chembl Id: CHEMBL4591475

PubChem CID: 124120205

Max Phase: Preclinical

Molecular Formula: C16H14F2N4OS2

Molecular Weight: 380.44

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC(=O)Nc1sc2c(c1-c1nc3c(C(F)F)nccc3s1)CCNC2

Standard InChI:  InChI=1S/C16H14F2N4OS2/c1-7(23)21-15-11(8-2-4-19-6-10(8)25-15)16-22-12-9(24-16)3-5-20-13(12)14(17)18/h3,5,14,19H,2,4,6H2,1H3,(H,21,23)

Standard InChI Key:  OQHKQCNQTKEABY-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4591475

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 380.44

Molecular Weight (Monoisotopic): 380.0577

AlogP: 3.96

#Rotatable Bonds: 3

Polar Surface Area: 66.91

Molecular Species: NEUTRAL

HBA: 6

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 2

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 10.57

CX Basic pKa: 8.43

CX LogP: 2.38

CX LogD: 1.31

Aromatic Rings: 3

Heavy Atoms: 25

QED Weighted: 0.72

Np Likeness Score: -1.61

References

1.  (2018)  Compounds for the modulation of myc activity, 

Source

Source(1):

• Patent Bioactivity Data