COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK154801
Chemical Name: 4-(4-chlorophenyl)-2-{2-nitro-5-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}phthalazin-1(2H)-one
Smiles: Clc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1cccs1

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Molecular Weight: 572.04
Empirical Formula: C29H22ClN5O4S

Physical State: Dry powder
Available Amount: 451 mg

Lipinsky:
logP: 4.761
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 130
Number of rings: 6

     

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