691

Source:http://linkedlifedata.com/resource/chembl/compound/691

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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/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10?,13?,15-,17?,22?,27-/m0/s1
chemicalCompound:standardIn...	AOJJSUZBOXZQNB-SNFLSGHGSA-N
chemicalCompound:canonicalS...	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO
chemicalCompound:molecularF...	C27H29NO11
chemicalCompound:moleculeId	691
chemicalCompound:mwFreebase	543.519
chemicalCompound:alogp	-0.044
chemicalCompound:hba	12
chemicalCompound:hbd	6
chemicalCompound:psa	206.07
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.351
chemicalCompound:acdLogP	0.239
chemicalCompound:acdLogD	-1.467
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	543.519
chemicalCompound:acdMostBpk...	8.677
chemicalCompound:chemblId	CHEMBL6608
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100691
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:602333, activity:602334, activity:602335, activity:602336, activity:3614629, activity:3659285, activity:3760241, activity:3794412, activity:4018869, activity:4096700, activity:4554059, activity:5377708, activity:5414691, activity:5454489, activity:5505056, activity:5768282, activity:6440169, activity:6445459, activity:6692367, activity:6785759, activity:6791721, activity:6850080, activity:6914264, activity:6966980, activity:7059641, activity:7078549, activity:7098644, activity:7231694, activity:7238130, activity:7329437, activity:7437601, activity:7553585, activity:8255357, activity:8256509, activity:8310875, activity:8318304, activity:8410040, activity:8465176, activity:8494049, activity:8532217, activity:8579229, activity:8584127, activity:8648553, activity:8663013, activity:8718148, activity:8760357, activity:8780621, activity:8796760, activity:8904519, activity:8911102, activity:8972240, activity:9004362, activity:9009423, activity:9048880, activity:9072903, activity:9098255, activity:9131175, activity:9189430, activity:9227103, activity:9286165, activity:9361425, activity:9426862, activity:9433627, activity:9435968, activity:9559624, activity:9680134