COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK762368
Chemical Name: N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-5-nitrobenzamide
Smiles: Clc1cc(ccc1Sc1nc2c(s1)cccc2)NC(=O)c1cc(ccc1Cl)[N+](=O)[O-]

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Saltdata: CH3OCH2CH2OH(4:1)
Molecular Weight: 476.36
Empirical Formula: C20H11Cl2N3O3S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.93
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 141
Number of rings: 4

     

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