COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK605486
Chemical Name: (2E)-3-{[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-2-cyano-N-(3-methylbutyl)prop-2-enamide
Smiles: N#C/C(=C\N=C\1/SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2)/C(=O)NCCC(C)C

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Molecular Weight: 476.58
Empirical Formula: C21H24N4O5S2

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 1.237
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 154
Number of rings: 4

     

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