COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561950
Chemical Name: (1R,9R,16S,16aR)-4-(acetylamino)-N-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl}-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: COCCc1noc(n1)CCNC(=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: 546.63
Empirical Formula: C29H34N6O5

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: -0.423
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 129
Number of rings: 6

     

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