COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK365517
Chemical Name: 3-bromo-4-[3-(butylamino)-2-hydroxypropoxy]-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one
Smiles: CCCCNCC(COc1c(Br)ccc2c1sc1c2c(=O)n2c(n1)CCCCC2)O

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Molecular Weight: 494.45
Empirical Formula: C22H28BrN3O3S

Physical State: Dry powder
Available Amount: 12 mg

Lipinsky:
logP: 5.351
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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