COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055102
Chemical Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-{[1-(4-nitrobenzyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/c1cn(c2c1cccc2)Cc1ccc(cc1)[N+](=O)[O-])c1ccc2c(c1)OCO2

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Molecular Weight: 510.46
Empirical Formula: C27H18N4O7

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 4.273
Rotatable bonds: 2
H-donors: 1
H-acceptors: 7
PSA: 135
Number of rings: 6

     

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