COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055485
Chemical Name: (2E)-4-oxo-4-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]but-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)N1N=C2C(C1C(C)C)CCCC2

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Molecular Weight: 264.32
Empirical Formula: C14H20N2O3

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 0.864
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 2

     

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