COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK273098
Chemical Name: 5-bromo-3-hydroxy-1-[2-methyl-5-(propan-2-yl)benzyl]-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dien-1-yl]-1,3-dihydro-2H-indol-2-one
Smiles: O=C(CC1(O)C(=O)N(c2c1cc(Br)cc2)Cc1cc(ccc1C)C(C)C)/C=C/C=C/c1ccccc1

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Molecular Weight: 544.49
Empirical Formula: C31H30BrNO3

Physical State: Dry powder
Available Amount: 435 mg

Lipinsky:
logP: 6.832
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 57
Number of rings: 4

     

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