COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK388170
Chemical Name: 4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenoxy]-3-nitrobenzonitrile
Smiles: N#Cc1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)N1C(=O)C2C(C1=O)CCCC2

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Molecular Weight: 391.38
Empirical Formula: C21H17N3O5

Physical State: Dry powder
Available Amount: 234 mg

Lipinsky:
logP: 2.499
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 116
Number of rings: 4

     

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