150651

Source:http://linkedlifedata.com/resource/chembl/compound/150651

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C25H25N5O6/c1-2-11-30(14-16-5-8-19-18(12-16)23(34)29-25(26)28-19)13-15-3-6-17(7-4-15)22(33)27-20(24(35)36)9-10-21(31)32/h1,3-8,12,20H,9-11,13-14H2,(H,27,33)(H,31,32)(H,35,36)(H3,26,28,29,34)
chemicalCompound:standardIn...	ZFUGOWHVJNSHFU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(O)c2cc(CN(CC#C)Cc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)ccc2n1
chemicalCompound:molecularF...	C25 H25 N5 O6
chemicalCompound:moleculeId	150651
chemicalCompound:mwFreebase	491.496
chemicalCompound:alogp	0.15
chemicalCompound:hba	10
chemicalCompound:hbd	5
chemicalCompound:psa	178.97
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.111
chemicalCompound:acdLogP	0.635
chemicalCompound:acdLogD	-3.856
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	491.496
chemicalCompound:acdMostBpk...	9.687
chemicalCompound:chemblId	CHEMBL329619
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:250651
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:795634, activity:795635, activity:795636, activity:795637, activity:795638, activity:795639, activity:795640, activity:795641, activity:795642, activity:795643, activity:795644