COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527583
Chemical Name: 1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: COC(=O)c1ccc(cc1)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O

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Saltdata: 0,5 CH3COOH
Molecular Weight: 350.37
Empirical Formula: C20H18N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.138
Rotatable bonds: 3
H-donors: 3
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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