COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599998
Chemical Name: tert-butyl(3S)-3-{[2-(cyclopentylamino)-2-oxoethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C(NC1CCCC1)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

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Molecular Weight: 401.51
Empirical Formula: C22H31N3O4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.663
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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