COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551697
Chemical Name: (1R,9R,16S,16aR)-4-(acetylamino)-N-{3-[(1,3-benzothiazol-2-ylcarbonyl)amino]propyl}-12-oxo-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoline-1-carboxamide
Smiles: CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCCNC(=O)c1nc2c(s1)cccc2

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Molecular Weight: 610.74
Empirical Formula: C33H34N6O4S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 1.856
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 151
Number of rings: 7

     

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