COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546200
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[3-(2-cyclopentylethyl)-1H-1,2,4-triazol-5-yl]valinamide
Smiles: COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2[nH]nc(n2)CCC2CCCC2)C(C)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 646.79
Empirical Formula: C35H46N6O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.63
Rotatable bonds: 10
H-donors: 4
H-acceptors: 6
PSA: 156
Number of rings: 5

     

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