COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040367
Chemical Name: 2-{[5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl}-N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]acetamide
Smiles: N#CC1=C(SCC(=O)/N=c\2/sc3c([nH]2)cccc3)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)C)C

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Molecular Weight: 505.58
Empirical Formula: C24H19N5O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.208
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 190
Number of rings: 4

     

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