COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK068625
Chemical Name: (10E)-10-(5-bromo-2-hydroxy-3-iodobenzylidene)-7-(3-methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Smiles: COc1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C\c1cc(Br)cc(c1O)I)/s3)c1c(CC2)cccc1

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Molecular Weight: 671.35
Empirical Formula: C28H20BrIN2O3S

Physical State: Dry powder
Available Amount: 370 mg

Lipinsky:
logP: 9.525
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 6

     

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