COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514180
Chemical Name: dimethyl(2E)-2-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)but-2-enedioate
Smiles: COC(=O)/C(=C\C(=O)OC)/N1N=C(CC1(C)C)C

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Molecular Weight: 254.29
Empirical Formula: C12H18N2O4

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: -0.462
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 1

     

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