495620

Source:http://linkedlifedata.com/resource/chembl/compound/495620

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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/C30H34O4/c1-21(15-16-23-12-7-8-18-30(23,3)4)10-9-11-22(2)17-19-34-29(33)26-20-27(31)24-13-5-6-14-25(24)28(26)32/h5-6,9-17,20,31-32H,7-8,18-19H2,1-4H3/b11-9+,16-15+,21-10+,22-17+
chemicalCompound:standardIn...	UPKCBIJEYIWEDX-RTCGSOPGSA-N
chemicalCompound:canonicalS...	C\C(=C/COC(=O)c1cc(O)c2ccccc2c1O)\C=C\C=C(/C)\C=C\C3=CCCCC3(C)C
chemicalCompound:molecularF...	C30H34O4
chemicalCompound:moleculeId	495620
chemicalCompound:mwFreebase	458.589
chemicalCompound:alogp	7.338
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	66.76
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.661
chemicalCompound:acdLogP	9.454
chemicalCompound:acdLogD	9.429
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	458.589
chemicalCompound:chemblId	CHEMBL467749
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:595620
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:2618477, activity:2618493, activity:2618505