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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
32
Total Number of Articles : 47
|
| PubChem |
176870
|
| Molecular Formula |
C22H23N3O4 |
| SMILES |
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC |
| InChI |
InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) |
| synonyms |
- Erlotinib
- 183321-74-6
- N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
- 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-
- erlotinibum
- N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine
- UNII-J4T82NDH7E
- J4T82NDH7E
- DTXSID8046454
- HSDB 8082
- OSI 744
- CHEBI:114785
- RG-1415
- [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE
- DTXCID6026454
- CP-35877401
- R 1415
- R-1415
- [6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine
- (6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl)-(3-ethynylphenyl)amine
- (6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl)-(3-ethynyl-phenyl)-amine
- L01XE03
- Tarceva
- 4-[(3-Ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline
- Erlotinib free base
- Erlotinib Base
- OSI-774
- Erlotinib [INN]
- Erlotinib, Free Base
- CP-358,774
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| Properties |
| Property |
Value |
| MW |
393.4 g/mol |
| HBD |
1 |
| HBA |
7 |
| Rotatable Bond Count |
11 |
| Exact Mass |
393.16885622 g/mol |
| Monoisotopic Mass |
393.16885622 g/mol |
| Heavy Atom Count |
29 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
525 |
| xlogp |
3.3 |
| Topological Polar Surface Area |
74.7 |
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