COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548944
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methoxyphenyl]-L-valinamide
Smiles: COc1cc(ccc1n1nc(cc1C)C)NC(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 683.8
Empirical Formula: C38H45N5O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.621
Rotatable bonds: 6
H-donors: 3
H-acceptors: 7
PSA: 142
Number of rings: 5

     

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