COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK205955
Chemical Name: 1-(4-{3-[(2-methylpropyl)amino]-4-nitrophenyl}piperazin-1-yl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Smiles: CC(CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)CC12CC3CC(C2)CC(C1)C3)C

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Molecular Weight: 454.61
Empirical Formula: C26H38N4O3

Physical State: Dry powder
Available Amount: 158 mg

Lipinsky:
logP: 7.041
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 6

     

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