COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599808
Chemical Name: (3aR,4R,4aR,7aS,8R,8aR)-6-(1,3-benzodioxol-5-yl)-3-[4-(benzyloxy)-3-methoxyphenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1cc(ccc1OCc1ccccc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

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Molecular Weight: 538.56
Empirical Formula: C31H26N2O7

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.551
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 95
Number of rings: 8

     

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