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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB07501
http://purl.obolibrary.org/obo/dinto_DB07501
|
|---|---|
| Preferred Name | (2s)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol |
| Synonyms |
5-bromo-2-N-{4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-N-phenylpyrimidine-2,4-diamine
C21H24BrN5O2
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | (2s)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol
|
|---|---|
| label | (2s)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol
|
| type | |
| InChIKey | InChIKey=MEIJADBULOETOV-KRWDZBQOSA-N
|
| Synonym |
5-bromo-2-N-{4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-N-phenylpyrimidine-2,4-diamine
C21H24BrN5O2
|
| xref |
PubChem Substance:99443972
PDB:BWP
ChemSpider:393438
PubChem Compound:445958
|
| prefixIRI | obo2:dinto_DB07501
|
| related with | |
| SMILES | [H][C@@](O)(COC1=CC=C(NC2=NC(NC3=CC=CC=C3)=C(Br)C=N2)C=C1)CN(C)C
|
| InChI | InChI=1S/C21H24BrN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)/t17-/m0/s1
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| subClassOf |
| Delete | Subject | Author | Type | Created |
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