COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549252
Chemical Name: 4-{2-[(6S,6aR,13S,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]-2-oxoethyl}-2-(propan-2-yl)phthalazin-1(2H)-one
Smiles: O=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)Cc1nn(C(C)C)c(=O)c2c1cccc2

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Molecular Weight: 460.62
Empirical Formula: C28H36N4O2

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 3.978
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 56
Number of rings: 6

     

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