1915

Source:http://linkedlifedata.com/resource/chembl/compound/1915

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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:1915_BW-301U_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
chemicalCompound:standardIn...	VJXSSYDSOJBUAV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
chemicalCompound:molecularF...	C17H19N5O2
chemicalCompound:moleculeId	1915
chemicalCompound:mwFreebase	325.365
chemicalCompound:alogp	2.428
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	109.17
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.973
chemicalCompound:acdLogD	1.928
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	325.365
chemicalCompound:acdMostBpk...	6.685
chemicalCompound:chemblId	CHEMBL7492
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101915
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PIRITREXIM
chemicalCompound:activity	activity:37840, activity:37841, activity:37842, activity:37843, activity:37844, activity:45064, activity:45065, activity:45066, activity:45067, activity:45068, activity:58828, activity:58829, activity:58830, activity:62285, activity:62286, activity:62287, activity:62288, activity:62289, activity:92545, activity:92546, activity:92547, activity:92548, activity:92549, activity:173730, activity:173731, activity:173732, activity:173733, activity:173734, activity:192103, activity:192104, activity:192105, activity:192106, activity:192107, activity:210877, activity:210878, activity:210879, activity:234811, activity:234812, activity:234813, activity:234814, activity:234815, activity:243386, activity:243387, activity:243388, activity:256247, activity:256248, activity:256249, activity:256250, activity:256251, activity:256252, activity:257752, activity:257753, activity:257754, activity:257755, activity:257756, activity:257757, activity:257758, activity:257759, activity:289049, activity:289050, activity:289051, activity:289052, activity:289053, activity:289054, activity:289055