COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171135
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}propylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NCCCN1CCOCC1

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Molecular Weight: 467.52
Empirical Formula: C21H24F3N5O2S

Physical State: Dry powder
Available Amount: 23 mg

Lipinsky:
logP: 5.24
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 4

     

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