462007

Source:http://linkedlifedata.com/resource/chembl/compound/462007

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/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26+,28+,29-,30-/m1/s1
chemicalCompound:standardIn...	GMISZFQPFDAPGI-JJYFIROESA-N
chemicalCompound:canonicalS...	O[C@@H]1Cc2c(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5)c(O)cc2O[C@@H]1c6ccc(O)c(O)c6
chemicalCompound:molecularF...	C30H26O12
chemicalCompound:moleculeId	462007
chemicalCompound:mwFreebase	578.52
chemicalCompound:alogp	3.565
chemicalCompound:hba	12
chemicalCompound:hbd	10
chemicalCompound:psa	220.75
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.289
chemicalCompound:acdLogP	1.378
chemicalCompound:acdLogD	1.372
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	578.52
chemicalCompound:chemblId	CHEMBL451115
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:562007
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:2534695, activity:2534696, activity:2534723, activity:2534724, activity:2534751, activity:2534752, activity:2534779, activity:2534780, activity:2534807, activity:2534808, activity:2534835, activity:2534836, activity:2534863, activity:2534864, activity:2534881, activity:2554704, activity:2554705, activity:2554706, activity:2554707, activity:2554708, activity:2554709