COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK332044
Chemical Name: [5,6-bis(methoxycarbonyl)-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxybenzotriazol-1-yl]ferrocene
Smiles: COC(=O)C1C(C(=O)OC)C2OC1C1C2N=NN1C1=CC=CC1[Fe]C1C=CC=C1

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Molecular Weight: 439.25
Empirical Formula: C20H21FeN3O5

Physical State: Dry powder
Available Amount: 161 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 89
Number of rings: 5

     

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