COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK249119
Chemical Name: 4-[(1E)-2-cyano-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl4-tert-butylbenzoate
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1ccc(cc1)C(C)(C)C)/C(=O)c1ccc(cc1)C

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Molecular Weight: 453.54
Empirical Formula: C29H27NO4

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 7.173
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 3

     

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