N-(2-acetamidobenzo[d]thiazol-6-yl)-2-(1H-indol-3-yl)acetamide

ID: ALA5276655

Chembl Id: CHEMBL5276655

Max Phase: Preclinical

Molecular Formula: C19H16N4O2S

Molecular Weight: 364.43

Names and Identifiers

Canonical SMILES:  CC(=O)Nc1nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2s1

Standard InChI:  InChI=1S/C19H16N4O2S/c1-11(24)21-19-23-16-7-6-13(9-17(16)26-19)22-18(25)8-12-10-20-15-5-3-2-4-14(12)15/h2-7,9-10,20H,8H2,1H3,(H,22,25)(H,21,23,24)

Standard InChI Key:  GHNHUBGPRWFGMM-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5276655

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 364.43

Molecular Weight (Monoisotopic): 364.0994

AlogP: 3.92

#Rotatable Bonds: 4

Polar Surface Area: 86.88

Molecular Species: NEUTRAL

HBA: 4

HBD: 3

#RO5 Violations: 0

HBA (Lipinski): 6

HBD (Lipinski): 3

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 7.97

CX Basic pKa:

CX LogP: 3.21

CX LogD: 3.11

Aromatic Rings: 4

Heavy Atoms: 26

QED Weighted: 0.51

Np Likeness Score: -2.01

References

1. Sharma PC, Bansal KK, Sharma A, Sharma D, Deep A..  (2020)  Thiazole-containing compounds as therapeutic targets for cancer therapy.,  188  [PMID:31926469] [10.1016/j.ejmech.2019.112016]

Source

Source(1):

• Scientific Literature