COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529310
Chemical Name: (3S)-1-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: COc1cc(ccc1OCC(=C)C)C1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O

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Saltdata: CH3COOH
Molecular Weight: 392.45
Empirical Formula: C23H24N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.255
Rotatable bonds: 7
H-donors: 3
H-acceptors: 4
PSA: 83
Number of rings: 4

     

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