1122962

Source:http://linkedlifedata.com/resource/chembl/compound/1122962

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:6125
chemicalCompound:standardIn...	InChI=1S/C31H37NO3.C4H6O6/c1-33-25-11-10-22-16-24-23-17-30(13-12-20-6-3-2-4-7-20)19-34-28(30)29-31(23,26(22)27(25)35-29)14-15-32(24)18-21-8-5-9-21;5-1(3(7)8)2(6)4(9)10/h2-4,6-7,10-11,21,23-24,28-29H,5,8-9,12-19H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t23?,24?,28-,29?,30-,31?;1-,2-/m10/s1
chemicalCompound:standardIn...	DOUUZHBGNYWXDY-DLTZCFEVSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4C[C@]5(CCc6ccccc6)CO[C@@H]5C7Oc1c2C47CCN3CC8CCC8.O[C@@H]([C@H](O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C35H43NO9
chemicalCompound:moleculeId	1122962
chemicalCompound:mwFreebase	471.63
chemicalCompound:alogp	5.437
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	30.93
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.211
chemicalCompound:acdLogD	3.105
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	621.717
chemicalCompound:acdMostBpk...	8.476
chemicalCompound:chemblId	CHEMBL1744391
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222962
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:560529