1122952

Source:http://linkedlifedata.com/resource/chembl/compound/1122952

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:5953
chemicalCompound:standardIn...	InChI=1S/C30H37NO3.C4H6O6/c1-31-16-15-30-22-18-29(14-8-4-7-11-20-9-5-3-6-10-20)19-33-27(29)28(30)34-26-24(32-2)13-12-21(25(26)30)17-23(22)31;5-1(3(7)8)2(6)4(9)10/h3,5-6,9-10,12-13,22-23,27-28H,4,7-8,11,14-19H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t22?,23?,27-,28?,29-,30?;1-,2-/m10/s1
chemicalCompound:standardIn...	MHHUZPCRVYYHOH-WWZPRDMZSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4C[C@]5(CCCCCc6ccccc6)CO[C@@H]5C7Oc1c2C47CCN3C.O[C@@H]([C@H](O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C34H43NO9
chemicalCompound:moleculeId	1122952
chemicalCompound:mwFreebase	459.62
chemicalCompound:alogp	5.529
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	30.93
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.367
chemicalCompound:acdLogD	3.096
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	609.706
chemicalCompound:acdMostBpk...	8.654
chemicalCompound:chemblId	CHEMBL1744381
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222952
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:554520