COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543034
Chemical Name: 4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(2Z)-4-(pyridin-2-yl)-1,3-thiazol-2(3H)-ylidene]butanamide
Smiles: COc1c2c(CCC(c3c2ccc(c(=O)c3)NCCCC(=O)/N=c/2\scc([nH]2)c2ccccn2)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 629.74
Empirical Formula: C33H35N5O6S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 2.309
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 165
Number of rings: 5

     

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