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Name |
N-(4-Hydroxy-2-methoxyphenyl)acetamide
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Molecular Formula | C9H11NO3 | |
IUPAC Name* |
N-(4-hydroxy-2-methoxyphenyl)acetamide
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SMILES |
CC(=O)NC1=C(C=C(C=C1)O)OC
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InChI |
InChI=1S/C9H11NO3/c1-6(11)10-8-4-3-7(12)5-9(8)13-2/h3-5,12H,1-2H3,(H,10,11)
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InChIKey |
WSLZRANFLVSYSP-UHFFFAOYSA-N
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Synonyms |
N-(4-Hydroxy-2-methoxyphenyl)acetamide; 5307-06-2; 4-Acetylamino-3-methoxyphenol; SCHEMBL14782205; DTXSID90738724; N-(4-hydroxy-2-methoxyphenyl) acetamide
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CAS | 5307-06-2 | |
PubChem CID | 68646525 | |
ChEMBL ID | NA |
Chemical Classification: |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference | |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference |
Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name | |
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Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name |
Molecular Weight: | 181.19 | ALogp: | 1.0 |
HBD: | 2 | HBA: | 3 |
Rotatable Bonds: | 2 | Lipinski's rule of five: | Accepted |
Polar Surface Area: | 58.6 | Aromatic Rings: | 1 |
Heavy Atoms: | 13 | QED Weighted: | 0.684 |
Caco-2 Permeability: | -4.539 | MDCK Permeability: | 0.00001010 |
Pgp-inhibitor: | 0 | Pgp-substrate: | 0.641 |
Human Intestinal Absorption (HIA): | 0.006 | 20% Bioavailability (F20%): | 0.006 |
30% Bioavailability (F30%): | 0.805 |
Blood-Brain-Barrier Penetration (BBB): | 0.925 | Plasma Protein Binding (PPB): | 13.84% |
Volume Distribution (VD): | 0.8 | Fu: | 69.56% |
CYP1A2-inhibitor: | 0.518 | CYP1A2-substrate: | 0.878 |
CYP2C19-inhibitor: | 0.06 | CYP2C19-substrate: | 0.528 |
CYP2C9-inhibitor: | 0.019 | CYP2C9-substrate: | 0.88 |
CYP2D6-inhibitor: | 0.027 | CYP2D6-substrate: | 0.792 |
CYP3A4-inhibitor: | 0.021 | CYP3A4-substrate: | 0.361 |
Clearance (CL): | 9.944 | Half-life (T1/2): | 0.908 |
hERG Blockers: | 0.014 | Human Hepatotoxicity (H-HT): | 0.577 |
Drug-inuced Liver Injury (DILI): | 0.645 | AMES Toxicity: | 0.158 |
Rat Oral Acute Toxicity: | 0.037 | Maximum Recommended Daily Dose: | 0.237 |
Skin Sensitization: | 0.598 | Carcinogencity: | 0.146 |
Eye Corrosion: | 0.01 | Eye Irritation: | 0.644 |
Respiratory Toxicity: | 0.053 |
Similar NPs | Similar Drugs | ||||||
---|---|---|---|---|---|---|---|
NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
ENC002213 | 0.556 | D0U5QK | 0.444 | ||||
ENC000501 | 0.512 | D0E9CD | 0.383 | ||||
ENC000391 | 0.449 | D02XJY | 0.333 | ||||
ENC000072 | 0.444 | D0AN7B | 0.317 | ||||
ENC001056 | 0.426 | D02AQY | 0.304 | ||||
ENC001055 | 0.426 | D0U5CE | 0.297 | ||||
ENC000296 | 0.426 | D03LGG | 0.297 | ||||
ENC000344 | 0.422 | D0YF3X | 0.295 | ||||
ENC000172 | 0.409 | D09GYT | 0.293 | ||||
ENC000777 | 0.400 | D0U0OT | 0.293 |