COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL011496
Chemical Name: (5Z)-5-[2-(2,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(c(c1)C1C/C(=C/2\C(=O)NC(=S)N(C2=O)C)/Nc2c(S1)cccc2)OC

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Molecular Weight: 455.56
Empirical Formula: C22H21N3O4S2

Available Amount: 0 mg

Lipinsky:
logP: 2.723
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 137
Number of rings: 4

     

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