370256

Source:http://linkedlifedata.com/resource/chembl/compound/370256

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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:370256_Phenolsulfonphthalein_INN
chemicalCompound:standardIn...	InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24/h1-12,20H,(H,22,23,24)
chemicalCompound:standardIn...	NUKDWKHUQCAPFT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccccc3S(=O)(=O)O
chemicalCompound:molecularF...	C19H14O5S
chemicalCompound:moleculeId	370256
chemicalCompound:mwFreebase	354.376
chemicalCompound:alogp	3.327
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	100.05
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-0.898
chemicalCompound:acdLogP	-0.215
chemicalCompound:acdLogD	-3.72
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	354.376
chemicalCompound:chemblId	CHEMBL221319
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:470256
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	PHENOLSULFONPHTHALEIN
chemicalCompound:activity	activity:1820796, activity:1820856, activity:3254919, activity:3255003, activity:7565009, activity:7565010, activity:7565011