COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262445
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(piperazin-1-yl)ethyl]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)/NCCN1CCNCC1

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Molecular Weight: 452.5
Empirical Formula: C20H23F3N6OS

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 5.174
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 101
Number of rings: 4

     

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