COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148627
Chemical Name: 5-[4-(methylsulfonyl)piperazin-1-yl]-2-nitro-N-{1-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}aniline
Smiles: CC(C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)C

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Molecular Weight: 462.61
Empirical Formula: C23H34N4O4S

Physical State: Dry powder
Available Amount: 417 mg

Lipinsky:
logP: 6.079
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 6

     

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