COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK728427
Chemical Name: 5-[(4Z)-4-{4-[bis(2-chloroethyl)amino]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoicacid
Smiles: ClCCN(c1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)CCCl

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Molecular Weight: 480.78
Empirical Formula: C22H20Cl3N3O3

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 4.213
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 73
Number of rings: 3

     

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