214711

Source:http://linkedlifedata.com/resource/chembl/compound/214711

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H30O2/c1-3-11-21-12-9-18-17-8-6-16(23)14-15(17)5-7-19(18)20(21)10-13-22(21,24)4-2/h2,14,17-20,24H,3,5-13H2,1H3/t17?,18?,19?,20?,21?,22-/m0/s1
chemicalCompound:standardIn...	NUCQOTUSUGFIDQ-KIIRVTSASA-N
chemicalCompound:canonicalS...	CCCC12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]2(O)C#C
chemicalCompound:molecularF...	C22 H30 O2
chemicalCompound:moleculeId	214711
chemicalCompound:mwFreebase	326.472
chemicalCompound:alogp	5.227
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.093
chemicalCompound:acdLogP	3.877
chemicalCompound:acdLogD	3.877
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	326.472
chemicalCompound:chemblId	CHEMBL128123
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:314711
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:577751, activity:577752, activity:577753, activity:577754, activity:577755, activity:845002, activity:845003