13440

Source:http://linkedlifedata.com/resource/chembl/compound/13440

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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:13440_Butyl alcohol_OTHER
chemicalCompound:standardIn...	InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
chemicalCompound:standardIn...	LRHPLDYGYMQRHN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCO
chemicalCompound:molecularF...	C4H10O
chemicalCompound:moleculeId	13440
chemicalCompound:mwFreebase	74.1216
chemicalCompound:alogp	0.97
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	20.23
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.839
chemicalCompound:acdLogD	0.839
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	74.1216
chemicalCompound:chemblId	CHEMBL14245
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113440
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	1-BUTANOL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:28885
chemicalCompound:activity	activity:258469, activity:258470, activity:780107, activity:780108, activity:780109, activity:780110, activity:780111, activity:780112, activity:1004006, activity:1004007, activity:1004008, activity:1004009, activity:1230179, activity:1506056, activity:2385263, activity:4057170, activity:4124366, activity:4749333, activity:6754233