COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541468
Chemical Name: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)butanamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NC2CCS(=O)(=O)C2)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 587.69
Empirical Formula: C29H37N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.189
Rotatable bonds: 8
H-donors: 3
H-acceptors: 8
PSA: 157
Number of rings: 4

     

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