COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551950
Chemical Name: methyl4-[(N-{[(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinolin-1-yl]carbonyl}-beta-alanyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)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: 597.67
Empirical Formula: C33H35N5O6

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 1.587
Rotatable bonds: 5
H-donors: 3
H-acceptors: 6
PSA: 137
Number of rings: 6

     

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