1314895

Source:http://linkedlifedata.com/resource/chembl/compound/1314895

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/C51H82O16/c1-29-16-15-17-45(56)66-49(35(7)48(64-13)31(3)20-23-39(52)33(5)42(62-11)28-44(54)55)32(4)19-22-36(59-8)25-40(53)30(2)18-21-37(60-9)26-41(61-10)34(6)50-47(58)38(27-46(57)67-50)51(65-14)43(24-29)63-12/h15-19,21-22,27,30-37,40-43,47-51,53,58H,20,23-26,28H2,1-14H3,(H,54,55)/b17-15+,21-18+,22-19+,29-16+/t30?,31?,32?,33?,34?,35?,36?,37?,40?,41?,42?,43?,47-,48?,49?,50-,51?/m0/s1
chemicalCompound:standardIn...	RNJIQGIXVCJDJF-UONDBWHXSA-N
chemicalCompound:canonicalS...	COC(CC(=O)O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(OC)C(OC)C2=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(O)CC(OC)\C=C\C1C)OC)[C@H]2O
chemicalCompound:molecularF...	C51H82O16
chemicalCompound:moleculeId	1314895
chemicalCompound:mwFreebase	951.187
chemicalCompound:alogp	4.644
chemicalCompound:hba	16
chemicalCompound:hbd	3
chemicalCompound:psa	212.03
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.059
chemicalCompound:acdLogP	3.551
chemicalCompound:acdLogD	0.353
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	951.187
chemicalCompound:chemblId	CHEMBL1993604
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1414895
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:8231017, activity:8259144, activity:8308721, activity:8319455, activity:8413852, activity:8482581, activity:8506786, activity:8581321, activity:8652668, activity:8662413, activity:8669202, activity:8773146, activity:8784417, activity:8805398, activity:8812232, activity:8908419, activity:8937903, activity:8976195, activity:9026108, activity:9076966, activity:9086562, activity:9102267, activity:9193293, activity:9230837, activity:9294872, activity:9371399, activity:9435176, activity:9448333, activity:9450934, activity:9691998, activity:9725639, activity:9767970, activity:9796460, activity:9872356, activity:9901359, activity:9939409, activity:9972716, activity:9989896, activity:10001253, activity:10085726, activity:10175269, activity:10177163, activity:10193119, activity:10204633, activity:10307358, activity:10335889, activity:10382071, activity:10451558, activity:10503370, activity:10600136, activity:10611868, activity:10617970, activity:10709555, activity:10802442