COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581935
Chemical Name: (2Z)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanamide
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C

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Molecular Weight: 483.59
Empirical Formula: C28H25N3O3S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 6.351
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 100
Number of rings: 6

     

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