COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036714
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-({2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl}amino)ethylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC(CC(=O)N1CCN(CC1)CCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/C)C

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Molecular Weight: 530.69
Empirical Formula: C29H34N6O2S

Physical State: Dry powder
Available Amount: 840 mg

Lipinsky:
logP: 5.111
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 109
Number of rings: 5

     

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