COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK676602
Chemical Name: 2-(2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-1H-isoindole-1,3(2H)-dione
Smiles: Clc1ccc(c(c1)Cl)C(=O)CSc1nc2c(s1)cc(cc2)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]

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Molecular Weight: 544.39
Empirical Formula: C23H11Cl2N3O5S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.612
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 166
Number of rings: 5

     

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