COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK233606
Chemical Name: 2-(4-ethylphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-1H-pyrrolo[3,4-b][1,5]benzothiazepine-1,3(2H)-dione
Smiles: CCc1ccc(cc1)N1C(=O)C2=C(C1=O)C(Nc1c(S2)cccc1)c1cc(OC)c(cc1OC)OC

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Molecular Weight: 502.59
Empirical Formula: C28H26N2O5S

Physical State: Dry powder
Available Amount: 71 mg

Lipinsky:
logP: 4.465
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 5

     

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