COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807769
Chemical Name: 2-[3-({4-(prop-2-en-1-yl)-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: C=CCn1c(SCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1COc1cccc2c1nccc2

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Molecular Weight: 535.63
Empirical Formula: C30H25N5O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.344
Rotatable bonds: 9
H-donors: 0
H-acceptors: 3
PSA: 115
Number of rings: 6

     

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