COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544734
Chemical Name: 4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(2E)-3,4,5,6-tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-ylidene]butanamide
Smiles: COc1cc2CCC(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)/N=c/1\[nH]c2c(s1)CCC2)NC(=O)C

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Molecular Weight: 592.72
Empirical Formula: C31H36N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.525
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 152
Number of rings: 5

     

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