COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK820276
Chemical Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc2c(c1)OCCO2

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Saltdata: HCl
Molecular Weight: 549.95
Empirical Formula: C26H16ClN3O7S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 5.627
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 163
Number of rings: 6

     

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