COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599408
Chemical Name: tert-butyl(3S)-3-{[2-(cyclohexylamino)-2-oxoethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C(NC1CCCCC1)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

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Molecular Weight: 415.53
Empirical Formula: C23H33N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.227
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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