5985

Source:http://linkedlifedata.com/resource/chembl/compound/5985

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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:5985_Camptosar_OTHER, synonym:5985_Camptosar_TRADE_NAME, synonym:5985_Irinotecan_FDA_ALTERNATIVE_NAME, synonym:5985_Irinotecan_INN
chemicalCompound:standardIn...	InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1
chemicalCompound:standardIn...	UWKQSNNFCGGAFS-XIFFEERXSA-N
chemicalCompound:canonicalS...	CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4
chemicalCompound:molecularF...	C33H38N4O6
chemicalCompound:moleculeId	5985
chemicalCompound:mwFreebase	586.678
chemicalCompound:alogp	3.686
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	112.51
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.203
chemicalCompound:acdLogP	3.726
chemicalCompound:acdLogD	2.079
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	586.678
chemicalCompound:acdMostBpk...	9.332
chemicalCompound:chemblId	CHEMBL481
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:105985
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	IRINOTECAN
chemicalCompound:firstAppro...	1996
chemicalCompound:activity	activity:139059, activity:139060, activity:842707, activity:842708, activity:842709, activity:899124, activity:899125, activity:923701, activity:923702, activity:923703, activity:966786, activity:966787, activity:966788, activity:966789, activity:966790, activity:966791, activity:966792, activity:966793, activity:966794, activity:966795, activity:966796, activity:966797, activity:966798, activity:966799, activity:966800, activity:966801, activity:966802, activity:966803, activity:999681, activity:999682, activity:999683, activity:999684, activity:999685, activity:1477909, activity:1482463, activity:1482464, activity:1482465, activity:1482466, activity:2028250, activity:2028266, activity:2028282, activity:2099681, activity:2099682, activity:2099683, activity:2100371, activity:2100417, activity:2100463, activity:2228129, activity:2228130, activity:2228131, activity:2228132, activity:2278970, activity:2325782, activity:2341257, activity:2341258, activity:2357417, activity:2444443, activity:2587751, activity:2587770, activity:2587774