753269

Source:http://linkedlifedata.com/resource/chembl/compound/753269

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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/C25H30N4O6S/c1-26-20-10-9-19(16-23(20)35-25(26)31)36(32,33)29-11-5-6-18(17-29)24(30)28-14-12-27(13-15-28)21-7-3-4-8-22(21)34-2/h3-4,7-10,16,18H,5-6,11-15,17H2,1-2H3
chemicalCompound:standardIn...	BTCCCXZRIVBOGA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)c4ccc5N(C)C(=O)Oc5c4
chemicalCompound:molecularF...	C25H30N4O6S
chemicalCompound:moleculeId	753269
chemicalCompound:mwFreebase	514.594
chemicalCompound:alogp	2.297
chemicalCompound:hba	7
chemicalCompound:hbd	0
chemicalCompound:psa	108.07
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.573
chemicalCompound:acdLogD	2.573
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	514.594
chemicalCompound:acdMostBpk...	2.204
chemicalCompound:chemblId	CHEMBL1329385
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:853269
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:3621535, activity:3986337, activity:4082937, activity:4196948, activity:5434160, activity:5584992, activity:5650552, activity:5789042, activity:5873500, activity:5983571, activity:6563034, activity:6748634, activity:7191700, activity:7330498, activity:7508759, activity:7509149