443413

Source:http://linkedlifedata.com/resource/chembl/compound/443413

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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/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23-,25+,26-,27-,28+,29+/m1/s1
chemicalCompound:standardIn...	OWPWFVVPBYFKBG-SXDHXEJRSA-N
chemicalCompound:canonicalS...	C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1
chemicalCompound:molecularF...	C29H40O9
chemicalCompound:moleculeId	443413
chemicalCompound:mwFreebase	532.622
chemicalCompound:alogp	1.668
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	131.75
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.254
chemicalCompound:acdLogP	2.349
chemicalCompound:acdLogD	2.349
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	532.622
chemicalCompound:chemblId	CHEMBL502127
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:543413
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CALACTIN
chemicalCompound:activity	activity:2326037, activity:2326038, activity:2326039, activity:2326040, activity:2534968, activity:2535134, activity:2535138, activity:2535142, activity:2535149, activity:2535153, activity:2555051, activity:2555057, activity:2555063, activity:2694591, activity:2694592, activity:2694593, activity:2694594, activity:2694595, activity:2694596, activity:2694597