COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472602
Chemical Name: methyl2-{[(2E)-3-(4-{[(2-chlorophenyl)carbonyl]oxy}phenyl)-2-cyanoprop-2-enoyl]amino}-5-phenylthiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(cc1)OC(=O)c1ccccc1Cl)/C(=O)Nc1sc(cc1C(=O)OC)c1ccccc1

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Molecular Weight: 543
Empirical Formula: C29H19ClN2O5S

Physical State: Dry powder
Available Amount: 184 mg

Lipinsky:
logP: 8.224
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 4

     

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