COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK154729
Chemical Name: 4-(4-chlorophenyl)-2-(5-{4-[(3-chlorophenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)phthalazin-1(2H)-one
Smiles: Clc1ccc(cc1)c1nn(c2cc(ccc2[N+](=O)[O-])N2CCN(CC2)C(=O)c2cccc(c2)Cl)c(=O)c2c1cccc2

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Molecular Weight: 600.46
Empirical Formula: C31H23Cl2N5O4

Physical State: Dry powder
Available Amount: 451 mg

Lipinsky:
logP: 5.239
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 102
Number of rings: 6

     

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