COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815185
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc2c(c1)OCCO2)c1ccccc1)/c1nc2c(s1)cccc2

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Molecular Weight: 462.53
Empirical Formula: C27H18N4O2S

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 6.26
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 6

     

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