COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK672100
Chemical Name: 2-[(E)-{[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]imino}methyl]-4-chloro-3,5-dimethyl-6-nitrophenol
Smiles: Oc1cc(ccc1c1nc2c(s1)cccc2)/N=C/c1c(C)c(Cl)c(c(c1O)[N+](=O)[O-])C

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Molecular Weight: 453.91
Empirical Formula: C22H16ClN3O4S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 8.679
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 139
Number of rings: 4

     

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