COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408724
Chemical Name: (2E)-3-(2,4-dimethoxyphenyl)-N-{2-[(pyridin-2-ylmethyl)sulfanyl]pyridin-3-yl}prop-2-enamide
Smiles: COc1cc(OC)ccc1/C=C/C(=O)Nc1cccnc1SCc1ccccn1

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Saltdata: 2 HCl
Molecular Weight: 407.49
Empirical Formula: C22H21N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.966
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 3

     

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