COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK582790
Chemical Name: tert-butyl(3S)-3-{[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: CC([C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C

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Molecular Weight: 495.58
Empirical Formula: C27H33N3O6

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 4.098
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 106
Number of rings: 4

     

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