COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581236
Chemical Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C)CN1CCc2c(C1)cc1c(c2)OCCCO1

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Molecular Weight: 485.61
Empirical Formula: C28H27N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.447
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 91
Number of rings: 6

     

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