COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806992
Chemical Name: 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
Smiles: C=CCSc1nnc(s1)NC(=O)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 438.53
Empirical Formula: C21H18N4O3S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.144
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 145
Number of rings: 4

     

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