COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172057
Chemical Name: 4-methyl-2-{2-nitro-5-[4-(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)piperazin-1-yl]phenyl}phthalazin-1(2H)-one
Smiles: O=C(N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)[N+](=O)[O-])CC12CC3CC(C2)CC(C1)C3

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Molecular Weight: 541.65
Empirical Formula: C31H35N5O4

Physical State: Dry powder
Available Amount: 424 mg

Lipinsky:
logP: 4.802
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 102
Number of rings: 8

     

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