41199

Source:http://linkedlifedata.com/resource/chembl/compound/41199

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/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m0/s1
chemicalCompound:standardIn...	WZJSIHGOLMMBAL-INIZCTEOSA-N
chemicalCompound:canonicalS...	CCCN1CCc2cccc3c2[C@@H]1Cc4cccc(O)c34
chemicalCompound:molecularF...	C19 H21 N O
chemicalCompound:moleculeId	41199
chemicalCompound:mwFreebase	279.376
chemicalCompound:alogp	4.23
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.648
chemicalCompound:acdLogP	3.434
chemicalCompound:acdLogD	2.798
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	279.376
chemicalCompound:acdMostBpk...	7.958
chemicalCompound:chemblId	CHEMBL283489
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:141199
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:81721, activity:81722, activity:81723, activity:81724, activity:624970, activity:624971, activity:624972, activity:624973, activity:624974, activity:624975, activity:624976, activity:624977, activity:624978, activity:624979, activity:624980, activity:624981, activity:624982, activity:624983, activity:2069490, activity:2069509, activity:2069528