COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455757
Chemical Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide
Smiles: COc1cc(CCNC(=S)N2CCN(CC2)C(=O)c2sc3c(c2Cl)ccc(c3)[N+](=O)[O-])ccc1OC

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Molecular Weight: 549.07
Empirical Formula: C24H25ClN4O5S2

Physical State: Dry powder
Available Amount: 340 mg

Lipinsky:
logP: 4.513
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 160
Number of rings: 4

     

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