COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207332
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C(/NCCc1c[nH]cn1)\C)c1nc2c(s1)cccc2

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Molecular Weight: 394.5
Empirical Formula: C20H22N6OS

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 3.116
Rotatable bonds: 5
H-donors: 2
H-acceptors: 1
PSA: 114
Number of rings: 4

     

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