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

ID: ALA4539296

Chembl Id: CHEMBL4539296

PubChem CID: 124120217

Max Phase: Preclinical

Molecular Formula: C16H16N4OS2

Molecular Weight: 344.47

Molecule Type: Unknown

Names and Identifiers

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

Standard InChI:  InChI=1S/C16H16N4OS2/c1-8-14-11(4-6-18-8)22-16(20-14)13-10-3-5-17-7-12(10)23-15(13)19-9(2)21/h4,6,17H,3,5,7H2,1-2H3,(H,19,21)

Standard InChI Key:  RFIPOAYAIWWWBP-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4539296

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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: 344.47

Molecular Weight (Monoisotopic): 344.0766

AlogP: 3.33

#Rotatable Bonds: 2

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: 10.58

CX Basic pKa: 8.43

CX LogP: 1.97

CX LogD: 0.90

Aromatic Rings: 3

Heavy Atoms: 23

QED Weighted: 0.75

Np Likeness Score: -1.55

References

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

Source

Source(1):

• Patent Bioactivity Data