COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381105
Chemical Name: 1-(cyclohexa-2,4-dien-1-yl)-1-oxopropan-2-yl3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Smiles: O=C(C(OC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C)C1CC=CC=C1

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Molecular Weight: 443.5
Empirical Formula: C27H25NO5

Physical State: Dry powder
Available Amount: 831 mg

Lipinsky:
logP: 3.272
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 80
Number of rings: 7

     

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