|
Name |
2-[Di(tert-butyl)silyloxymethyl]tetrahydrofurane
|
Molecular Formula | C13H27O2Si | |
IUPAC Name* |
NA
|
|
SMILES |
CC(C)(C)[Si](C(C)(C)C)OCC1CCCO1
|
|
InChI |
InChI=1S/C13H27O2Si/c1-12(2,3)16(13(4,5)6)15-10-11-8-7-9-14-11/h11H,7-10H2,1-6H3
|
|
InChIKey |
SPHNSUSMEASBGB-UHFFFAOYSA-N
|
|
Synonyms |
2-[Di(tert-butyl)silyloxymethyl]tetrahydrofurane; 2-[di(t-butyl)silyloxymethyl] tetrahydrofurane; Di(tert-butyl)silyl tetrahydro-2-furanylmethyl ether #
|
|
CAS | NA | |
PubChem CID | 6329411 | |
ChEMBL ID | NA |
Chemical Classification: |
|
|
---|
Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference | |
---|---|---|---|---|---|---|---|---|
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 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|
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: | 243.44 | ALogp: | 3.8 |
HBD: | 0 | HBA: | 2 |
Rotatable Bonds: | 5 | Lipinski's rule of five: | Rejected |
Polar Surface Area: | 18.5 | Aromatic Rings: | 1 |
Heavy Atoms: | 16 | QED Weighted: | 0.682 |
Caco-2 Permeability: | -4.383 | MDCK Permeability: | 0.00001400 |
Pgp-inhibitor: | 0.526 | Pgp-substrate: | 0.001 |
Human Intestinal Absorption (HIA): | 0.002 | 20% Bioavailability (F20%): | 0.193 |
30% Bioavailability (F30%): | 0.002 |
Blood-Brain-Barrier Penetration (BBB): | 0.581 | Plasma Protein Binding (PPB): | 94.22% |
Volume Distribution (VD): | 1.287 | Fu: | 4.29% |
CYP1A2-inhibitor: | 0.086 | CYP1A2-substrate: | 0.743 |
CYP2C19-inhibitor: | 0.198 | CYP2C19-substrate: | 0.92 |
CYP2C9-inhibitor: | 0.107 | CYP2C9-substrate: | 0.123 |
CYP2D6-inhibitor: | 0.304 | CYP2D6-substrate: | 0.295 |
CYP3A4-inhibitor: | 0.157 | CYP3A4-substrate: | 0.308 |
Clearance (CL): | 9.022 | Half-life (T1/2): | 0.772 |
hERG Blockers: | 0.026 | Human Hepatotoxicity (H-HT): | 0.162 |
Drug-inuced Liver Injury (DILI): | 0.116 | AMES Toxicity: | 0.096 |
Rat Oral Acute Toxicity: | 0.113 | Maximum Recommended Daily Dose: | 0.048 |
Skin Sensitization: | 0.447 | Carcinogencity: | 0.933 |
Eye Corrosion: | 0.995 | Eye Irritation: | 0.994 |
Respiratory Toxicity: | 0.49 |
Similar NPs | Similar Drugs | ||||||
---|---|---|---|---|---|---|---|
NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
ENC001781 | 0.480 | D0V3YT | 0.179 | ||||
ENC001782 | 0.270 | D01JFT | 0.176 | ||||
ENC000562 | 0.250 | D07QKN | 0.175 | ||||
ENC001383 | 0.224 | D0W8SB | 0.174 | ||||
ENC001233 | 0.221 | D02LTL | 0.172 | ||||
ENC000898 | 0.219 | D0V9JR | 0.165 | ||||
ENC000611 | 0.212 | D0H2JP | 0.162 | ||||
ENC005113 | 0.212 | D06AWE | 0.162 | ||||
ENC000185 | 0.212 | D05UVD | 0.161 | ||||
ENC000744 | 0.212 | D0QC3M | 0.154 |