COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036940
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]aniline
Smiles: COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)c2nc3c(s2)cc(cc3)[N+](=O)[O-])ccc1OC

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Molecular Weight: 564.62
Empirical Formula: C27H28N6O6S

Physical State: Dry powder
Available Amount: 368 mg

Lipinsky:
logP: 6.006
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 169
Number of rings: 5

     

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