COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK422700
Chemical Name: methyl(2Z)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enoate
Smiles: COC(=O)/C(=C\c1cc(Br)c(c(c1)OC)O)/C#N

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Molecular Weight: 312.12
Empirical Formula: C12H10BrNO4

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 2.226
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 79
Number of rings: 1

     

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