180

Source:http://linkedlifedata.com/resource/chembl/compound/180

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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/C23H32O3/c1-22-9-8-19-17(18(22)6-7-21(22)26-16-3-4-16)5-2-15-10-20(24)14-11-23(15,19)13-25-12-14/h10,14,16-19,21H,2-9,11-13H2,1H3/t14-,17?,18?,19?,21+,22+,23-/m1/s1
chemicalCompound:standardIn...	VAEMUJTUEPUFST-YHRPNKESSA-N
chemicalCompound:canonicalS...	C[C@]12CCC3C(CCC4=CC(=O)[C@H]5COC[C@@]34C5)C1CC[C@@H]2OC6CC6
chemicalCompound:molecularF...	C23 H32 O3
chemicalCompound:moleculeId	180
chemicalCompound:mwFreebase	356.498
chemicalCompound:alogp	3.419
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	35.53
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.616
chemicalCompound:acdLogD	3.616
chemicalCompound:fullMwt	356.498
chemicalCompound:chemblId	CHEMBL414006
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100180
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:497450, activity:497451