COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552451
Chemical Name: (1R,9R,16S,16aR)-4-(acetylamino)-N-[2-(5-methoxy-1H-indol-3-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: COc1ccc2c(c1)c(CCNC(=O)[C@@H]1Cc3cc(ccc3N3[C@@H]1[C@@H]1C[C@H](C3)Cn3c1cccc3=O)NC(=O)C)c[nH]2

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Molecular Weight: 565.67
Empirical Formula: C33H35N5O4

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 1.717
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 106
Number of rings: 7

     

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