COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK595881
Chemical Name: (2Z)-1-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)ethanone
Smiles: O=C(c1ccc(cc1)n1nc(c(c1C)Cl)C)/C=C/1\NCCc2c1cc1OCOc1c2

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Molecular Weight: 421.88
Empirical Formula: C23H20ClN3O3

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 5.354
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 65
Number of rings: 5

     

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