385353

Source:http://linkedlifedata.com/resource/chembl/compound/385353

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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/C34H34O11/c1-7-17(2)31(36)45-30-21-14-22(39-5)27(40-6)29(35)34(21)15-41-28-24(34)20(13-23-26(28)43-16-42-23)25(18(3)33(30,4)38)44-32(37)19-11-9-8-10-12-19/h7-14,18,25,30,38H,15-16H2,1-6H3/b17-7+/t18-,25-,30+,33-,34?/m0/s1
chemicalCompound:standardIn...	GJFVFQBZXOSDTN-PSYSIQNCSA-N
chemicalCompound:canonicalS...	COC1=C(OC)C(=O)C23COc4c5OCOc5cc([C@@H](OC(=O)c6ccccc6)[C@H](C)[C@](C)(O)[C@H](OC(=O)\C(=C\C)\C)C2=C1)c34
chemicalCompound:molecularF...	C34 H34 O11
chemicalCompound:moleculeId	385353
chemicalCompound:mwFreebase	618.627
chemicalCompound:alogp	3.954
chemicalCompound:hba	11
chemicalCompound:hbd	1
chemicalCompound:psa	136.05
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.887
chemicalCompound:acdLogP	6.829
chemicalCompound:acdLogD	6.829
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	618.627
chemicalCompound:chemblId	CHEMBL374605
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:485353
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:1912451, activity:1912460, activity:1912469, activity:1912478, activity:1912487