706000

Source:http://linkedlifedata.com/resource/chembl/compound/706000

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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/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1
chemicalCompound:standardIn...	ZZJYIKPMDIWRSN-TZBSWOFLSA-N
chemicalCompound:canonicalS...	CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc5cccc([C@H]2C1)c35
chemicalCompound:molecularF...	C25H31NO
chemicalCompound:moleculeId	706000
chemicalCompound:mwFreebase	361.52
chemicalCompound:alogp	4.713
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.814
chemicalCompound:acdLogD	3.209
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	361.52
chemicalCompound:acdMostBpk...	7.773
chemicalCompound:chemblId	CHEMBL1255588
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:806000
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:189827, activity:205849, activity:205850, activity:205851, activity:356630, activity:356631, activity:356632, activity:460633, activity:460634, activity:460635, activity:573804, activity:573805, activity:584037, activity:693835, activity:738352, activity:808012, activity:825831, activity:825832, activity:893523, activity:893524, activity:893525, activity:893526, activity:943171, activity:943172, activity:1159084, activity:1166750, activity:1166751, activity:1203607, activity:1269118, activity:1269119, activity:1269120, activity:1269121, activity:1306410, activity:1416843, activity:1611110, activity:2381320, activity:2381321, activity:2401860, activity:2401861, activity:2573324, activity:3473470, activity:3473471, activity:3473472, activity:3473473, activity:3473474, activity:3473475, activity:3492405, activity:5165969, activity:5166012, activity:6317040, activity:6380371