COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK616491
Chemical Name: (5Z)-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-6-hydroxy-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COCCCN1C(=O)N=C(/C(=C/2\CC(Sc3c(N2)cccc3)c2ccc(cc2)Cl)/C1=O)O

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Molecular Weight: 471.96
Empirical Formula: C23H22ClN3O4S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.072
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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