COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136035
Chemical Name: (2E)-2-{(2E)-[4-(1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinylidene}-6-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}-1,3-thiazinan-4-one
Smiles: O=C1N/C(=N\N=C(\CCc2ccc3c(c2)OCO3)/C)/SC(C1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 552.61
Empirical Formula: C26H28N6O6S

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 2.884
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 5

     

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