COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596964
Chemical Name: tert-butyl(3S)-3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: COc1cc(CCNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)ccc1OC

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Molecular Weight: 440.54
Empirical Formula: C25H32N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.401
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 77
Number of rings: 3

     

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