COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507617
Chemical Name: (4Z)-4-{4-[bis(2-chloroethyl)amino]benzylidene}-2-(3,4-dimethylphenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Smiles: ClCCN(c1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C)C)O)CCCl

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Molecular Weight: 432.35
Empirical Formula: C22H23Cl2N3O2

Physical State: Dry powder
Available Amount: 877 mg

Lipinsky:
logP: 5.183
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 56
Number of rings: 3

     

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