3439

Source:http://linkedlifedata.com/resource/chembl/compound/3439

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:3439_Abraxane_TRADE_NAME, synonym:3439_BMS-181339-01_RESEARCH_CODE, synonym:3439_Paclitaxel_BAN, synonym:3439_Paclitaxel_FDA_ALTERNATIVE_NAME, synonym:3439_Paclitaxel_INN, synonym:3439_Paclitaxel_TRADE_NAME, synonym:3439_Paclitaxel_USAN, synonym:3439_Paclitaxel_USP, synonym:3439_Taxol_OTHER, synonym:3439_Taxol_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1
chemicalCompound:standardIn...	RCINICONZNJXQF-VAZQATRQSA-N
chemicalCompound:canonicalS...	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
chemicalCompound:molecularF...	C47H51NO14
chemicalCompound:moleculeId	3439
chemicalCompound:mwFreebase	853.906
chemicalCompound:alogp	3.055
chemicalCompound:hba	14
chemicalCompound:hbd	4
chemicalCompound:psa	221.28
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.901
chemicalCompound:acdLogP	3.95
chemicalCompound:acdLogD	3.95
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	853.906
chemicalCompound:chemblId	CHEMBL48
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:103439
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	PACLITAXEL
chemicalCompound:firstAppro...	1992
chemicalCompound:activity	activity:50192, activity:50193, activity:50194, activity:50195, activity:51800, activity:51801, activity:51802, activity:88300, activity:94199, activity:94200, activity:94201, activity:94202, activity:94203, activity:94204, activity:94205, activity:94206, activity:94207, activity:94208, activity:95404, activity:95405, activity:97962, activity:97963, activity:97964, activity:97965, activity:97966, activity:97967, activity:98979, activity:98980, activity:98981, activity:98982, activity:100314, activity:100315, activity:100316, activity:106449, activity:115347, activity:115348, activity:115349, activity:115350, activity:115351, activity:115352, activity:115353, activity:115849, activity:115850, activity:115851, activity:115852, activity:115853, activity:115854, activity:115855, activity:115856, activity:115857, activity:115858, activity:115859, activity:115860, activity:115861, activity:115862