COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021003
Chemical Name: N-{2-[(2-chloro-6-nitrobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
Smiles: CCC(=O)Nc1ccc2c(c1)sc(n2)SCc1c(Cl)cccc1[N+](=O)[O-]

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Molecular Weight: 407.9
Empirical Formula: C17H14ClN3O3S2

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 4.692
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 141
Number of rings: 3

     

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