COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545119
Chemical Name: 4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]butanamide
Smiles: COc1c2c(CCC(c3c2ccc(c(=O)c3)NCCCC(=O)/N=c/2\scc([nH]2)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 566.68
Empirical Formula: C29H34N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.06
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 152
Number of rings: 4

     

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