COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550926
Chemical Name: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)Nc1scc(n1)c1ccc2c(c1)OCO2)NC(=O)C

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Molecular Weight: 672.76
Empirical Formula: C35H36N4O8S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.353
Rotatable bonds: 8
H-donors: 3
H-acceptors: 8
PSA: 174
Number of rings: 6

     

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