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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK322704

Synonym: None

IUPAC Name: methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate

Structure

SMILES: COC(=O)C1=CC=CC=C1N=C(O)CC1=CN(OC)C2=CC=CC=C12

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InChI: InChI=1S/C19H18N2O4/c1-24-19(23)15-8-3-5-9-16(15)20-18(22)11-13-12-21(25-2)17-10-6-4-7-14(13)17/h3-10,12H,11H2,1-2H3,(H,20,22)

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InChIKey: NGJMDRAYQMMCCB-UHFFFAOYSA-N

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Reference

PubChem CID: 141490321

NPASS: NPC478735

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 338.36300000000006

TPSA？: 73.05

MolLogP？: 3.317000000000002

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Coxsackievirus B3 Coxsackievirus B3 EC50 3700.0 nM 10.1016/j.ejmech.2020.112071
Homo sapiens HEK-293T Activity 51.95 % 10.1016/j.ejmech.2020.112071
Homo sapiens HEK-293T CC50 30000.0 nM 10.1016/j.ejmech.2020.112071
Human alphaherpesvirus 1 Human alphaherpesvirus 1 EC50 950.0 nM 10.1016/j.ejmech.2020.112071
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 2140.0 nM 10.1016/j.ejmech.2020.112071
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 2410.0 nM 10.1016/j.ejmech.2020.112071
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 3000.0 nM 10.1016/j.ejmech.2020.112071
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 3080.0 nM 10.1016/j.ejmech.2020.112071
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 3190.0 nM 10.1016/j.ejmech.2020.112071
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 3270.0 nM 10.1016/j.ejmech.2020.112071
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 3370.0 nM 10.1016/j.ejmech.2020.112071
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 4070.0 nM 10.1016/j.ejmech.2020.112071
Influenza A virus H3N2 Influenza A virus H3N2 EC50 2590.0 nM 10.1016/j.ejmech.2020.112071
None Unchecked IC50 7200.0 nM 10.1016/j.ejmech.2020.112071
None Unchecked IC50 30000.0 nM 10.1016/j.ejmech.2020.112071
None Unchecked Ratio CC50/EC50 8.82 None 10.1016/j.ejmech.2020.112071
None Unchecked Ratio EC50 0.6 None 10.1016/j.ejmech.2020.112071
None Unchecked Ratio EC50 0.7 None 10.1016/j.ejmech.2020.112071
None Unchecked Ratio EC50 0.9 None 10.1016/j.ejmech.2020.112071
None Unchecked Ratio EC50 1.0 None 10.1016/j.ejmech.2020.112071
None Unchecked Ratio EC50 1.2 None 10.1016/j.ejmech.2020.112071

Metabolism Information