COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK025094
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)CCN/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/C

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Molecular Weight: 468.58
Empirical Formula: C27H24N4O2S

Physical State: Dry powder
Available Amount: 434 mg

Lipinsky:
logP: 6.1
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 5

     

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