30470

Source:http://linkedlifedata.com/resource/chembl/compound/30470

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/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1
chemicalCompound:standardIn...	MASYAWHPJCQLSW-ZIAGYGMSSA-N
chemicalCompound:canonicalS...	CC[C@@H]1Cc2cc(O)ccc2C3=C1c4ccc(O)cc4C[C@H]3CC
chemicalCompound:molecularF...	C22H24O2
chemicalCompound:moleculeId	30470
chemicalCompound:mwFreebase	320.425
chemicalCompound:alogp	5.87
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	40.46
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.272
chemicalCompound:acdLogP	6.888
chemicalCompound:acdLogD	6.887
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	320.425
chemicalCompound:chemblId	CHEMBL282489
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:130470
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:163411, activity:163412, activity:163413, activity:1082576, activity:1082577, activity:1082578, activity:1082579, activity:1092390, activity:1092391, activity:1092392, activity:1092393, activity:3472957, activity:3485860, activity:3485861, activity:3485862, activity:3485863, activity:3485864, activity:3485865, activity:3485866, activity:3635990, activity:3645689, activity:3672021, activity:3688279, activity:3693365, activity:3695203, activity:3726307, activity:3807274, activity:3807341, activity:3871644, activity:3897172, activity:3914845, activity:3940495, activity:3947059, activity:3948700, activity:3988105, activity:4018399, activity:4018551, activity:4019525, activity:4024273, activity:4034191, activity:4073820, activity:4117731, activity:4135708, activity:4143718, activity:4264954, activity:4278556, activity:4358365, activity:4402464, activity:4422776, activity:4454742, activity:4511655, activity:4517667, activity:4519782, activity:4522846, activity:4533494, activity:4535862, activity:4538223, activity:4548812, activity:4551442, activity:4563196, activity:4585303, activity:4662308, activity:4663493, activity:4715757, activity:4725628, activity:4743242, activity:4745938