684977

Source:http://linkedlifedata.com/resource/chembl/compound/684977

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:273794
chemicalCompound:standardIn...	InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
chemicalCompound:standardIn...	PYTMYKVIJXPNBD-OQKDUQJOSA-N
chemicalCompound:canonicalS...	CCN(CC)CCOc1ccc(cc1)\C(=C(/Cl)\c2ccccc2)\c3ccccc3.OC(=O)CC(O)(CC(=O)O)C(=O)O
chemicalCompound:molecularF...	C32H36ClNO8
chemicalCompound:moleculeId	684977
chemicalCompound:mwFreebase	405.96
chemicalCompound:alogp	6.483
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	12.47
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.847
chemicalCompound:acdLogD	3.699
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	598.083
chemicalCompound:acdMostBpk...	9.596
chemicalCompound:chemblId	CHEMBL1213137
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:784977
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:3624962, activity:3724925, activity:4028947, activity:4545879, activity:4554542, activity:4672583, activity:4737733, activity:4830630, activity:4965807, activity:5061336, activity:5335740, activity:5357623, activity:5392424, activity:5498246, activity:5665289, activity:5696413, activity:5741771, activity:5802000, activity:5992402, activity:6023770, activity:6027012, activity:6034306, activity:6041715, activity:6445259, activity:6543794, activity:6559725, activity:6580930, activity:6626693, activity:6678968, activity:6739262, activity:6753934, activity:6958626, activity:7026062, activity:7030146, activity:7048659, activity:7059275, activity:7177157, activity:7224296, activity:7253564, activity:7312557, activity:7546231, activity:7550113