COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561659
Chemical Name: (1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-[4-oxo-4-(pyridin-3-ylamino)butyl]-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: O=C(Nc1cccnc1)CCCNC(=O)[C@@H]1Cc2cc(ccc2N2[C@@H]1[C@@H]1C[C@H](C2)Cn2c1cccc2=O)NC(=O)C

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Molecular Weight: 554.65
Empirical Formula: C31H34N6O4

Physical State: Dry powder
Available Amount: 220 mg

Lipinsky:
logP: 0.272
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 123
Number of rings: 6

     

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