COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046541
Chemical Name: (5Z)-3-(3-chloro-4-methylphenyl)-6-hydroxy-5-{[1-(4-nitrobenzyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/c2cn(c3c2cccc3)Cc2ccc(cc2)[N+](=O)[O-])/C(=O)N1c1ccc(c(c1)Cl)C

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Molecular Weight: 514.92
Empirical Formula: C27H19ClN4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.477
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 120
Number of rings: 5

     

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