COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741714
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CN(CCCN/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C)C

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Molecular Weight: 411.45
Empirical Formula: C18H20F3N5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.103
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 89
Number of rings: 3

     

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