COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548121
Chemical Name: 1-(4-methoxy-3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}phenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: COc1ccc(cc1CSc1nnc(o1)c1ccccc1)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O

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Saltdata: 0,5 CH3COOH
Molecular Weight: 512.59
Empirical Formula: C28H24N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.625
Rotatable bonds: 7
H-donors: 3
H-acceptors: 4
PSA: 138
Number of rings: 6

     

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