COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588567
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nnc(s1)SCc1cccc2c1cccc2)c1ccc(cc1)C(C)C

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Molecular Weight: 635.76
Empirical Formula: C35H29N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.71
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 7

     

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