COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK608449
Chemical Name: (5Z)-5-[2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/2\CC(Sc3c(N2)cccc3)c2ccc3c(c2)OCO3)/C(=O)N1C

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Molecular Weight: 423.45
Empirical Formula: C21H17N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.112
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 125
Number of rings: 5

     

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