COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK214902
Chemical Name: 3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-chloro-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
Smiles: O=C(CC1(O)C(=O)N(c2c1cc(Cl)cc2)Cc1ccc(cc1)C)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 475.93
Empirical Formula: C27H22ClNO5

Physical State: Dry powder
Available Amount: 664 mg

Lipinsky:
logP: 5.643
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 5

     

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