COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK131601
Chemical Name: 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(thiophen-2-ylmethyl)amino]phenyl4-chlorobenzoate
Smiles: Clc1ccc(cc1)C(=O)Oc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)Cc1cccs1

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Molecular Weight: 509.01
Empirical Formula: C25H17ClN2O4S2

Physical State: Dry powder
Available Amount: 921 mg

Lipinsky:
logP: 4.897
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 104
Number of rings: 5

     

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