COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815027
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(5-bromo-1H-indol-3-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c[nH]c2c1cc(Br)cc2)/c1nc2c(s1)cccc2

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Molecular Weight: 380.27
Empirical Formula: C18H10BrN3S

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 5.572
Rotatable bonds: 2
H-donors: 1
H-acceptors: 0
PSA: 80
Number of rings: 4

     

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