COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK164783
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/NCCc1c[nH]cn1

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Molecular Weight: 428.52
Empirical Formula: C23H20N6OS

Physical State: Dry powder
Available Amount: 232 mg

Lipinsky:
logP: 3.805
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 114
Number of rings: 5

     

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