COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589201
Chemical Name: tert-butyl(3S)-3-{[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)Nc1ccc2c(c1)OCCO2

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Molecular Weight: 481.55
Empirical Formula: C26H31N3O6

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 3.028
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 106
Number of rings: 4

     

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