COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206735
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)CCN/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C

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Molecular Weight: 406.51
Empirical Formula: C22H22N4O2S

Physical State: Dry powder
Available Amount: 412 mg

Lipinsky:
logP: 4.347
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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