COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444003
Chemical Name: 2-[5-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pentyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(N1CCOCC1)CSc1nnc(n1c1ccccc1)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 569.68
Empirical Formula: C31H31N5O4S

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 4.487
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 122
Number of rings: 6

     

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