705869

Source:http://linkedlifedata.com/resource/chembl/compound/705869

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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:59721
chemicalCompound:synonym	synonym:705869_A-77636 HYDROCHLORIDE_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18-,20?;/m0./s1
chemicalCompound:standardIn...	BWHPNJVKFAPVOG-QYFJGNGUSA-N
chemicalCompound:canonicalS...	Cl.NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4
chemicalCompound:molecularF...	C20H28ClNO3
chemicalCompound:moleculeId	705869
chemicalCompound:mwFreebase	329.433
chemicalCompound:alogp	2.927
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	75.7
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.555
chemicalCompound:acdLogP	3.39
chemicalCompound:acdLogD	1.695
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	365.894
chemicalCompound:acdMostBpk...	9.12
chemicalCompound:chemblId	CHEMBL1256876
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805869
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:3482682, activity:3483466, activity:3483547, activity:3483627, activity:3483708, activity:3483789, activity:3484572, activity:3491069, activity:3718442, activity:3951689, activity:3967632, activity:4052711, activity:4087933, activity:4321476, activity:4339303, activity:4384574, activity:4631573, activity:4701973, activity:4771406, activity:4847639, activity:4930457, activity:4996802, activity:5011967, activity:5020324, activity:5354631, activity:5498238, activity:5800049, activity:6428691, activity:6552025, activity:6739520, activity:6819752, activity:7026350, activity:7065798, activity:7169657, activity:7370032