COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826623
Chemical Name: 6-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-5-cyano-N-(4-fluorophenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2nc3c(s2)cccc3)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1)F)C

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Molecular Weight: 545.62
Empirical Formula: C27H20FN5O3S2

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 5.509
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 173
Number of rings: 5

     

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