COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK156803
Chemical Name: 1-(1,3-benzothiazol-2-yl)-4-{[2-(1,3-benzothiazol-2-yl)-5-(2-methoxy-2-oxoethyl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl](4-chlorophenyl)methyl}-3-(2-methoxy-2-oxoethyl)-1H-pyrazol-5-olate
Smiles: COC(=O)Cc1nn(c(c1C(c1c(CC(=O)OC)[nH]n(c1=O)c1sc2c(n1)cccc2)c1ccc(cc1)Cl)[O-])c1sc2c(n1)cccc2

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Saltdata: CyCloC5H10N+
Molecular Weight: 700.18
Empirical Formula: C33H24ClN6O6S2

Available Amount: 0 mg

Lipinsky:
logP: 7.433
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 208
Number of rings: 7

     

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