COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557104
Chemical Name: ethyl3-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-chloro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc3c(c1)OCO3)cc(cc2)Cl

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Molecular Weight: 412.83
Empirical Formula: C21H17ClN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.643
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 89
Number of rings: 4

     

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