COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK018618
Chemical Name: 4,4'-[(3,4-dimethoxyphenyl)methanediyl]bis[2-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one]
Smiles: COc1cc(ccc1OC)C(c1c(C)[nH]n(c1=O)c1nc2c(s1)cccc2)c1c(C)[nH]n(c1=O)c1nc2c(s1)cccc2

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Molecular Weight: 610.72
Empirical Formula: C31H26N6O4S2

Physical State: Dry powder
Available Amount: 361 mg

Lipinsky:
logP: 6.99
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 165
Number of rings: 7

     

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