158419

Source:http://linkedlifedata.com/resource/chembl/compound/158419

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/C37H59NO10/c1-12-13-14-22(4)33(48-37(38)44)26(8)34(45-28(10)39)24(6)18-20(2)17-23(5)32(42)21(3)15-16-30(41)19-31-25(7)35(46-29(11)40)27(9)36(43)47-31/h12-17,21-27,30-35,41-42H,1,18-19H2,2-11H3,(H2,38,44)/b14-13-,16-15-,20-17-/t21-,22?,23?,24?,25-,26+,27+,30?,31-,32-,33?,34+,35-/m0/s1
chemicalCompound:standardIn...	CRINQJVJACIITI-HNKCAUOPSA-N
chemicalCompound:canonicalS...	CC(C\C(=C/C(C)[C@@H](O)[C@@H](C)\C=C/C(O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(=O)C)[C@H]1C)\C)[C@@H](OC(=O)C)[C@H](C)C(OC(=O)N)C(C)\C=C/C=C
chemicalCompound:molecularF...	C37 H59 N O10
chemicalCompound:moleculeId	158419
chemicalCompound:mwFreebase	677.865
chemicalCompound:alogp	5.389
chemicalCompound:hba	10
chemicalCompound:hbd	3
chemicalCompound:psa	171.67
chemicalCompound:rtb	21
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.182
chemicalCompound:acdLogP	5.257
chemicalCompound:acdLogD	5.257
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	677.865
chemicalCompound:chemblId	CHEMBL318715
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:258419
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:212369