674454

Source:http://linkedlifedata.com/resource/chembl/compound/674454

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:7065
chemicalCompound:synonym	synonym:674454_Bromocriptine Mesilate_JAN, synonym:674454_Bromocriptine Mesylate_USAN, synonym:674454_Bromocriptine_BAN, synonym:674454_CB-154_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1
chemicalCompound:standardIn...	NOJMTMIRQRDZMT-GSPXQYRGSA-N
chemicalCompound:canonicalS...	CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.CS(=O)(=O)O
chemicalCompound:molecularF...	C33H44BrN5O8S
chemicalCompound:moleculeId	674454
chemicalCompound:mwFreebase	654.594
chemicalCompound:alogp	4.363
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	118.21
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.604
chemicalCompound:acdLogP	8.599
chemicalCompound:acdLogD	8.549
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	750.7
chemicalCompound:acdMostBpk...	6.441
chemicalCompound:chemblId	CHEMBL1200503
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774454
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	BROMOCRIPTINE MESYLATE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:3182
chemicalCompound:activity	activity:3482671, activity:3483455, activity:3483536, activity:3483617, activity:3483697, activity:3483778, activity:3484561, activity:3635144, activity:3645267, activity:3696117, activity:3726940, activity:3958421, activity:3988959, activity:4047281, activity:4069468, activity:4278647, activity:4358450, activity:4428655, activity:4535954, activity:4538297, activity:4746025, activity:4929750, activity:4944673, activity:4966476, activity:5065037, activity:5744489, activity:5856634, activity:5875913, activity:5980199, activity:5983432, activity:5985625, activity:6783761, activity:7434669, activity:8236757, activity:8262061, activity:8357773, activity:8380939, activity:8387430, activity:8484616, activity:8563327, activity:8569602, activity:8630060, activity:8646144, activity:8710628, activity:8717620, activity:8750719, activity:8757789, activity:8798401, activity:8855001, activity:8885860, activity:8915286, activity:8953869, activity:9054274, activity:9080082, activity:9130681, activity:9150644, activity:9166438, activity:9274874, activity:9276835