COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK273093
Chemical Name: 3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-bromo-1-(2,5-dimethylbenzyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
Smiles: O=C(CC1(O)c2cc(Br)ccc2N(C1=O)Cc1cc(C)ccc1C)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 534.41
Empirical Formula: C28H24BrNO5

Physical State: Dry powder
Available Amount: 452 mg

Lipinsky:
logP: 6.28
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 5

     

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