COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL373146
Chemical Name: N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]isoleucine
Smiles: CCC(C(C(=O)O)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 498.58
Empirical Formula: C27H34N2O7

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 2.359
Rotatable bonds: 9
H-donors: 3
H-acceptors: 7
PSA: 123
Number of rings: 3

     

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