COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK575062
Chemical Name: tert-butyl(3S)-3-{[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: CC([C@@H](C(=O)NC1CCCCC1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C

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Molecular Weight: 457.61
Empirical Formula: C26H39N3O4

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 4.453
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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