COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561711
Chemical Name: (Z)-N~3~-{[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]acetyl}-N-(4-methyl-1,3-thiazol-2(3H)-ylidene)-beta-alaninam
Smiles: COc1ccc(cc1)c1oc2c(c1CC(=O)NCCC(=O)/N=c/1\scc([nH]1)C)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC

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Molecular Weight: 694.16
Empirical Formula: C34H32ClN3O9S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.42
Rotatable bonds: 7
H-donors: 2
H-acceptors: 9
PSA: 180
Number of rings: 6

     

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