COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK280164
Chemical Name: 3-bromo-4-[2-(diethylamino)ethoxy]-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one
Smiles: CCN(CCOc1c(Br)ccc2c1sc1c2c(=O)n2c(n1)CCCCC2)CC

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Saltdata: HCl
Molecular Weight: 464.43
Empirical Formula: C21H26BrN3O2S

Physical State: Dry powder
Available Amount: 586 mg

Lipinsky:
logP: 5.66
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 73
Number of rings: 4

     

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