148501

Source:http://linkedlifedata.com/resource/chembl/compound/148501

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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/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
chemicalCompound:standardIn...	QCTBMLYLENLHLA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCc1ccc(cc1)C(=O)O
chemicalCompound:molecularF...	C8H9NO2
chemicalCompound:moleculeId	148501
chemicalCompound:mwFreebase	151.163
chemicalCompound:alogp	-1.914
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	63.32
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.752
chemicalCompound:acdLogP	0.641
chemicalCompound:acdLogD	-1.863
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	151.163
chemicalCompound:acdMostBpk...	9.06
chemicalCompound:chemblId	CHEMBL328875
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:248501
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:94246, activity:94247, activity:94248, activity:258158, activity:1114511, activity:1773669, activity:1773674, activity:5998785, activity:6046693, activity:6061460, activity:6062271, activity:6068841, activity:8274373, activity:8293864, activity:8343882, activity:8359117, activity:8377874, activity:8398301, activity:8460104, activity:8484119, activity:8549160, activity:8645586, activity:8655476, activity:8701216, activity:8745604, activity:8748165, activity:8834350, activity:8849726, activity:8876505, activity:8901265, activity:8944473, activity:9044750, activity:9052516, activity:9141297, activity:9143503, activity:9161277, activity:9261142, activity:9280546, activity:9333982, activity:9337426, activity:9482697, activity:9493844, activity:9571332, activity:9749794, activity:9755911, activity:9865384, activity:9906803, activity:9936981, activity:9969489, activity:10011213, activity:10135219, activity:10145816, activity:10190704, activity:10223282, activity:10300013, activity:10324365, activity:10342157, activity:10416831, activity:10467536, activity:10645616, activity:10664641, activity:10673690, activity:10698083