COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049233
Chemical Name: 6-[(2-amino-2-oxoethyl)sulfanyl]-N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)N)NC(=C(C1c1ccco1)C(=O)/N=c\1/sc2c([nH]1)cccc2)C

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Molecular Weight: 451.53
Empirical Formula: C21H17N5O3S2

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 2.964
Rotatable bonds: 5
H-donors: 4
H-acceptors: 3
PSA: 184
Number of rings: 4

     

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