COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442385
Chemical Name: 2-{2-[5-({2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OCCCN1CCN(CC1)C(=O)CSc1nnc(n1c1ccccc1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 584.7
Empirical Formula: C31H32N6O4S

Physical State: Dry powder
Available Amount: 216 mg

Lipinsky:
logP: 2.816
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 137
Number of rings: 6

     

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