COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK154793
Chemical Name: 4-methyl-2-{2-nitro-5-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}phthalazin-1(2H)-one
Smiles: [O-][N+](=O)c1ccc(cc1n1nc(C)c2c(c1=O)cccc2)N1CCN(CC1)C(=O)c1cccs1

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Molecular Weight: 475.53
Empirical Formula: C24H21N5O4S

Physical State: Dry powder
Available Amount: 428 mg

Lipinsky:
logP: 2.414
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 130
Number of rings: 5

     

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