552373

Source:http://linkedlifedata.com/resource/chembl/compound/552373

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:118386
chemicalCompound:standardIn...	InChI=1S/C33H30N4O10.ClH/c1-36-13-19(37(41)42)10-23(36)32(39)35-18-6-4-17(5-7-18)34-30-21-12-25-24(46-15-47-25)11-20(21)28(29-22(30)14-45-33(29)40)16-8-26(43-2)31(38)27(9-16)44-3;/h4-13,22,28-30,34,38H,14-15H2,1-3H3,(H,35,39);1H/t22-,28+,29-,30+;/m0./s1
chemicalCompound:standardIn...	WEDSSFYVXYLQLK-DVMCIEKCSA-N
chemicalCompound:canonicalS...	Cl.COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(NC(=O)c5cc(cn5C)[N+](=O)[O-])cc4)c6cc7OCOc7cc26
chemicalCompound:molecularF...	C33H31ClN4O10
chemicalCompound:moleculeId	552373
chemicalCompound:mwFreebase	642.612
chemicalCompound:alogp	4.152
chemicalCompound:hba	11
chemicalCompound:hbd	3
chemicalCompound:psa	175.33
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.94
chemicalCompound:acdLogP	4.006
chemicalCompound:acdLogD	4.005
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	679.073
chemicalCompound:acdMostBpk...	3.23
chemicalCompound:chemblId	CHEMBL556158
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:652373
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:378121, activity:378122, activity:378123, activity:378124, activity:378125, activity:378126, activity:378127, activity:378128, activity:378129, activity:378130, activity:378131, activity:378132, activity:8280914, activity:8283567, activity:8330769, activity:8345918, activity:8380742, activity:8435504, activity:8466691, activity:8500066, activity:8535910, activity:8551365, activity:8627947, activity:8688295, activity:8708414, activity:8732460, activity:8735121, activity:8802864, activity:8836558, activity:8888237, activity:8939113, activity:9002228, activity:9021130, activity:9031515, activity:9121633, activity:9128286, activity:9219880, activity:9252435, activity:9263198, activity:9311063, activity:9321082, activity:9397511, activity:9469895, activity:9480924, activity:9538464, activity:9653856, activity:9732309, activity:9747216, activity:9821882, activity:9852521, activity:9893963, activity:9924051, activity:9956639, activity:9980738, activity:9992027, activity:10111326, activity:10132761, activity:10174915, activity:10214839, activity:10248103, activity:10287410, activity:10294223, activity:10333566, activity:10404251, activity:10419463