COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467129
Chemical Name: methyl2-{[(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)Nc1sccc1C(=O)OC

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Molecular Weight: 390.8
Empirical Formula: C17H11ClN2O5S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 5.428
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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