COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK755911
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-{[2-(1H-indol-3-yl)ethyl]imino}methyl]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(C1/C=N/CCc1c[nH]c2c1cccc2)C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 455.46
Empirical Formula: C22H16F3N5OS

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 6.332
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 101
Number of rings: 5

     

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