COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550451
Chemical Name: (6R,6aS)-6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]-3-nitro-6,6a,7,8,14,15-hexahydro-5H,10H-7,14-methanopyrido[1',2':5,6][1,5]diazocino[1,2-a]quinolin-10-one
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-]

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Molecular Weight: 556.62
Empirical Formula: C31H32N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.658
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 108
Number of rings: 7

     

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