COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507631
Chemical Name: (4Z)-4-{4-[bis(2-chloroethyl)amino]benzylidene}-2-(3-chlorophenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Smiles: ClCCN(c1ccc(cc1)/C=C\1/C(=NN(C1=O)c1cccc(c1)Cl)O)CCCl

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Molecular Weight: 438.74
Empirical Formula: C20H18Cl3N3O2

Physical State: Dry powder
Available Amount: 343 mg

Lipinsky:
logP: 4.858
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 56
Number of rings: 3

     

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