21802

Source:http://linkedlifedata.com/resource/chembl/compound/21802

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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/C17H17NO3/c1-18-5-4-10-6-11(19)8-12-15(10)13(18)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,19-21H,4-5,7H2,1H3/t13-/m1/s1
chemicalCompound:standardIn...	QNBCPLWFVGLFHO-CYBMUJFWSA-N
chemicalCompound:canonicalS...	CN1CCc2cc(O)cc3c2[C@H]1Cc4ccc(O)c(O)c34
chemicalCompound:molecularF...	C17H17NO3
chemicalCompound:moleculeId	21802
chemicalCompound:mwFreebase	283.322
chemicalCompound:alogp	2.874
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	63.93
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.281
chemicalCompound:acdLogP	1.065
chemicalCompound:acdLogD	0.933
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	283.322
chemicalCompound:acdMostBpk...	6.888
chemicalCompound:chemblId	CHEMBL19130
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121802
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:326040, activity:326041, activity:326042, activity:906957, activity:906958, activity:906959, activity:906960, activity:1058714, activity:1138971, activity:1138972, activity:1138973, activity:1138974, activity:2214682, activity:3473296, activity:3671895, activity:3689995, activity:3919448, activity:3966781, activity:4051769, activity:4131786, activity:4152912, activity:4384498, activity:4388192, activity:4393577, activity:4505742, activity:4519309, activity:4522811, activity:4543753, activity:4583855, activity:4585177, activity:4787596, activity:4803493, activity:4805457, activity:4809357, activity:4853886, activity:4869282, activity:5070368, activity:5500714, activity:5507803, activity:5569936, activity:5570141, activity:5572109, activity:5692828, activity:5703997, activity:5774936, activity:5778073, activity:5969591, activity:5975438, activity:5982958, activity:5989369, activity:6023337, activity:6026640, activity:6064082, activity:6067334, activity:6442330, activity:6805530, activity:6872335, activity:7042709, activity:7361401, activity:7523115, activity:7529034, activity:7555215, activity:10102028