COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546605
Chemical Name: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-{3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl}butanamide
Smiles: COCc1[nH]nc(n1)c1cccc(c1)NC(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 656.74
Empirical Formula: C35H40N6O7

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 1.742
Rotatable bonds: 10
H-donors: 4
H-acceptors: 7
PSA: 165
Number of rings: 5

     

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