COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK577489
Chemical Name: tert-butyl(3S)-3-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C(Nc1ccc2c(c1)OCO2)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

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Molecular Weight: 453.49
Empirical Formula: C24H27N3O6

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 2.872
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 106
Number of rings: 4

     

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