COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558063
Chemical Name: 2-(3-carboxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylicacid
Smiles: CC(C1=CC23CCC4C(C3CC1C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)O)(C)CCCC4(C)C(=O)O)C

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Molecular Weight: 519.64
Empirical Formula: C31H37NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.428
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 111
Number of rings: 7

     

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