COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206055
Chemical Name: 4-methyl-2-[2-nitro-5-(4-{[4-(propan-2-yl)phenyl]carbonyl}piperazin-1-yl)phenyl]phthalazin-1(2H)-one
Smiles: [O-][N+](=O)c1ccc(cc1n1nc(C)c2c(c1=O)cccc2)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)C

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Molecular Weight: 511.58
Empirical Formula: C29H29N5O4

Physical State: Dry powder
Available Amount: 188 mg

Lipinsky:
logP: 3.435
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 102
Number of rings: 5

     

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