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Name |
Silanamine, 1,1,1-trimethyl-N-phenyl-
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Molecular Formula | C9H15NSi | |
IUPAC Name* |
N-trimethylsilylaniline
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SMILES |
C[Si](C)(C)NC1=CC=CC=C1
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InChI |
InChI=1S/C9H15NSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8,10H,1-3H3
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InChIKey |
IPJPAQIHUIKFLV-UHFFFAOYSA-N
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Synonyms |
N-Trimethylsilylaniline; 3768-55-6; Silanamine, 1,1,1-trimethyl-N-phenyl-; Anilinotrimethylsilane; 1,1,1-Trimethyl-N-phenylsilanamine; Aniline, TMS derivative; N-(trimethylsilyl)aniline; Trimethyl-N-phenylsilylamine; EINECS 223-197-7; N-Phenyltrimethylsilylamine; Phenyl(trimethylsilyl)amine; SCHEMBL49520; ANILINOTRIMETHYLSILANE?; DTXSID3063174; 1,1,1-Trimethyl-N-phenylsilamine; N-Phenyl-N-(trimethylsilyl)amine #; MFCD00053663; AKOS006346459; ZINC195764423; Silylamine, 1,1,1-trimethyl-N-phenyl-; FT-0693057; S19030
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CAS | 3768-55-6 | |
PubChem CID | 77381 | |
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: | 165.31 | ALogp: | 2.9 |
HBD: | 1 | HBA: | 1 |
Rotatable Bonds: | 2 | Lipinski's rule of five: | Accepted |
Polar Surface Area: | 12.0 | Aromatic Rings: | 1 |
Heavy Atoms: | 11 | QED Weighted: | 0.658 |
Caco-2 Permeability: | -4.305 | MDCK Permeability: | 0.00001710 |
Pgp-inhibitor: | 0 | Pgp-substrate: | 0.018 |
Human Intestinal Absorption (HIA): | 0.022 | 20% Bioavailability (F20%): | 0.009 |
30% Bioavailability (F30%): | 0.01 |
Blood-Brain-Barrier Penetration (BBB): | 0.819 | Plasma Protein Binding (PPB): | 98.29% |
Volume Distribution (VD): | 2.81 | Fu: | 1.78% |
CYP1A2-inhibitor: | 0.97 | CYP1A2-substrate: | 0.954 |
CYP2C19-inhibitor: | 0.129 | CYP2C19-substrate: | 0.788 |
CYP2C9-inhibitor: | 0.117 | CYP2C9-substrate: | 0.312 |
CYP2D6-inhibitor: | 0.012 | CYP2D6-substrate: | 0.41 |
CYP3A4-inhibitor: | 0.023 | CYP3A4-substrate: | 0.376 |
Clearance (CL): | 3.983 | Half-life (T1/2): | 0.791 |
hERG Blockers: | 0.049 | Human Hepatotoxicity (H-HT): | 0.219 |
Drug-inuced Liver Injury (DILI): | 0.052 | AMES Toxicity: | 0.043 |
Rat Oral Acute Toxicity: | 0.035 | Maximum Recommended Daily Dose: | 0.029 |
Skin Sensitization: | 0.831 | Carcinogencity: | 0.221 |
Eye Corrosion: | 0.951 | Eye Irritation: | 0.991 |
Respiratory Toxicity: | 0.694 |
Similar NPs | Similar Drugs | ||||||
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NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
ENC001151 | ![]() |
0.429 | D0G1OZ | ![]() |
0.400 | ||
ENC000064 | ![]() |
0.429 | D0P6UB | ![]() |
0.386 | ||
ENC000191 | ![]() |
0.410 | D0LG8E | ![]() |
0.370 | ||
ENC000207 | ![]() |
0.395 | D00HHS | ![]() |
0.370 | ||
ENC000203 | ![]() |
0.395 | D0U0RZ | ![]() |
0.364 | ||
ENC000052 | ![]() |
0.389 | D05OIS | ![]() |
0.359 | ||
ENC000192 | ![]() |
0.375 | D05BMG | ![]() |
0.349 | ||
ENC000217 | ![]() |
0.366 | D0T3LF | ![]() |
0.349 | ||
ENC003071 | ![]() |
0.360 | D0X9RY | ![]() |
0.341 | ||
ENC000205 | ![]() |
0.359 | D0P9AC | ![]() |
0.341 |