COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684471
Chemical Name: methyl4-(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
Smiles: COC(=O)CCC(=O)C1=C(NCCc2nc3c([nH]2)cccc3)CC(CC1=O)(C)C

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Molecular Weight: 397.47
Empirical Formula: C22H27N3O4

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 2.804
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 101
Number of rings: 3

     

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