COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK205998
Chemical Name: (3-chloro-1-benzothiophen-2-yl){4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}methanone
Smiles: Cc1cc(n(n1)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1sc2c(c1Cl)cccc2)C

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Molecular Weight: 495.99
Empirical Formula: C24H22ClN5O3S

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 6.639
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 115
Number of rings: 5

     

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