COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK060514
Chemical Name: 1,3-dioxo-N-{3-[(2E)-3-phenylprop-2-enoyl]phenyl}-2-[3-({3-[(2E)-3-phenylprop-2-enoyl]phenyl}carbamoyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
Smiles: O=C1N(c2cccc(c2)C(=O)Nc2cccc(c2)C(=O)/C=C/c2ccccc2)C(=O)c2c1ccc(c2)C(=O)Nc1cccc(c1)C(=O)/C=C/c1ccccc1

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Molecular Weight: 721.77
Empirical Formula: C46H31N3O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.493
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 129
Number of rings: 7

     

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