COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620942
Chemical Name: trans-4-[({[(3S)-2-(tert-butoxycarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: COc1cc2C[C@@H](C(=O)NC[C@@H]3CC[C@H](CC3)C(=O)O)N(Cc2cc1OC)C(=O)OC(C)(C)C

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Molecular Weight: 476.57
Empirical Formula: C25H36N2O7

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 2.207
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 114
Number of rings: 3

     

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