COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK063853
Chemical Name: 5-{4-[(E)-(2-chloro-4-hydroxyphenyl)diazenyl]-3-({[4-(octadecanoylamino)phenyl]carbamoyl}amino)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-phenoxybenzenesulfonicacid
Smiles: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)NC(=O)NC1=NN(C(=O)C1/N=N/c1ccc(cc1Cl)O)c1ccc(c(c1)S(=O)(=O)O)Oc1ccccc1

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Molecular Weight: 902.51
Empirical Formula: C46H56ClN7O8S

Physical State: Dry powder
Available Amount: 268 mg

Lipinsky:
logP: 10.845
Rotatable bonds: 21
H-donors: 5
H-acceptors: 8
PSA: 219
Number of rings: 5

     

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