COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692050
Chemical Name: 2-{1-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]cyclohexyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: OC(=O)C1C2C=CC3(C1C(=O)N(C3)C1(CCCCC1)c1nnnn1c1ccc(cc1)Cl)O2

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Molecular Weight: 455.9
Empirical Formula: C22H22ClN5O4

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 3.625
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 110
Number of rings: 6

     

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