COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547384
Chemical Name: 4-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl}amino)benzamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2ccc(cc2)C(=O)N)C(C)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 602.69
Empirical Formula: C33H38N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.123
Rotatable bonds: 5
H-donors: 5
H-acceptors: 7
PSA: 158
Number of rings: 4

     

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