COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL384093
Chemical Name: 2-(1,3-benzodioxol-5-yl)-8-[bis(4-methylphenyl)methylidene]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: Cc1ccc(cc1)/C(=C\1/C2C=CC1C1C2C(=O)N(C1=O)c1ccc2c(c1)OCO2)/c1ccc(cc1)C

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Molecular Weight: 475.54
Empirical Formula: C31H25NO4

Physical State: Dry powder
Available Amount: 187 mg

Lipinsky:
logP: 6.084
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 55
Number of rings: 7

     

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