COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK832404
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC)/c1nc2c(s1)CCCC2

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Molecular Weight: 326.42
Empirical Formula: C18H18N2O2S

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 4.267
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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