COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041122
Chemical Name: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)c1nc2c(s1)cc(cc2)Cl)/O

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Saltdata: 0,3 CH3COOH
Molecular Weight: 518.98
Empirical Formula: C27H19ClN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.932
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 128
Number of rings: 6

     

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