COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431774
Chemical Name: 2-chloro-5-[(4Z)-4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C\c1ccc(o1)c1cc(ccc1Cl)[N+](=O)[O-])c1ccc(c(c1)C(=O)O)Cl

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Molecular Weight: 486.27
Empirical Formula: C22H13Cl2N3O6

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 4.608
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 128
Number of rings: 4

     

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