COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544822
Chemical Name: 6-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(2E)-3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene]hexanamide
Smiles: COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)NCCCCCC(=O)/N=c\1/sc2c([nH]1)CCCCC2

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Molecular Weight: 648.82
Empirical Formula: C35H44N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.184
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 152
Number of rings: 5

     

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