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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | bosutinib | |
| Synonyms |
4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile SKI 606 SKI-606 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Bosutinib |
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| Definitions |
An aminoquinoline that is 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline bearing additional cyano and methoxy substituents at positions 3 and 6 respectively. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_39112 |
|
| alternative term |
4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile SKI 606 SKI-606 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Bosutinib
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|
| bearer_of | ||
| charge |
0
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|
| database_cross_reference |
PMID:21691746 PMID:22036634 PMID:22949154 PMID:22588706 PMID:19509264 PMID:22179664 CAS:380843-75-4 PMID:22065400 Beilstein:9100307 Reaxys:9100307 Drug_Central:4359 PMID:21544849 PMID:22311495 PMID:22037769 PMID:22031512 PMID:19039322 PMID:22471705 PMID:21148045 PMID:22425385 PMID:21680801 PMID:21865346 PMID:22462037 PMID:22937303 PMID:18483306 PMID:22884766 KEGG:D03252 PMID:22915985 PMID:22271876 PMID:21700731 LINCS:LSM-1190 PMID:22493660 PDBeChem:DB8 PMID:22830347 PMID:22371878 Wikipedia:Bosutinib
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|
| formula |
C26H29Cl2N5O3
|
|
| has role | ||
| has_exact_synonym |
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Bosutinib
|
|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile SKI 606 SKI-606
|
|
| has_RxCUI |
1307619
|
|
| id |
CHEBI:39112
|
|
| in_subset | ||
| inchi |
InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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|
| inchikey |
UBPYILGKFZZVDX-UHFFFAOYSA-N
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|
| label |
bosutinib
|
|
| mass |
530.44576
|
|
| monoisotopicmass |
529.16475
|
|
| notation |
CHEBI:39112
|
|
| prefixIRI |
CHEBI:39112
|
|
| prefLabel |
bosutinib
|
|
| smiles |
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
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|
| textual definition |
An aminoquinoline that is 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline bearing additional cyano and methoxy substituents at positions 3 and 6 respectively.
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|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_36709 http://purl.obolibrary.org/obo/CHEBI_23697 http://purl.obolibrary.org/obo/CHEBI_18379 |
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