COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528393
Chemical Name: (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)cc/c(=[NH+]\Cc1cnc(c(c1OC)N)C)/c(c3)[O-])NC(=O)C

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Molecular Weight: 534.61
Empirical Formula: C29H34N4O6

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 1.838
Rotatable bonds: 6
H-donors: 4
H-acceptors: 6
PSA: 141
Number of rings: 4

     

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