1317596

Source:http://linkedlifedata.com/resource/chembl/compound/1317596

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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/C34H40ClNO4/c1-33(2)26-14-15-34(33,3)32-25(26)18-30(40-32)39-29(19-36)24-16-27(35)31(38-21-23-12-8-5-9-13-23)28(17-24)37-20-22-10-6-4-7-11-22/h4-13,16-17,25-26,29-30,32H,14-15,18-21,36H2,1-3H3/t25-,26-,29+,30-,32-,34+/m1/s1
chemicalCompound:standardIn...	BVGWFRPIXPSLDA-TZZAJGITSA-N
chemicalCompound:canonicalS...	CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]3O[C@H](C[C@H]23)O[C@@H](CN)c4cc(Cl)c(OCc5ccccc5)c(OCc6ccccc6)c4
chemicalCompound:molecularF...	C34H40ClNO4
chemicalCompound:moleculeId	1317596
chemicalCompound:mwFreebase	562.139
chemicalCompound:alogp	6.683
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	62.94
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.776
chemicalCompound:acdLogD	6.497
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	562.139
chemicalCompound:acdMostBpk...	7.356
chemicalCompound:chemblId	CHEMBL1996305
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1417596
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:8266857, activity:8268396, activity:8318004, activity:8423014, activity:8440666, activity:8482822, activity:8525013, activity:8563601, activity:8590196, activity:8601688, activity:8669431, activity:8671560, activity:8782200, activity:8793680, activity:8810242, activity:8917654, activity:8951659, activity:8985317, activity:9014239, activity:9080317, activity:9082430, activity:9111336, activity:9202604, activity:9233122, activity:9240005, activity:9304036, activity:9373590, activity:9376194, activity:9453172, activity:9455648, activity:9696481, activity:9734647, activity:9801048, activity:9840116, activity:9948578, activity:9981509, activity:9988268, activity:10046949, activity:10094624, activity:10157814, activity:10290395, activity:10296491, activity:10349111, activity:10391252, activity:10407098, activity:10460569, activity:10512497, activity:10536590, activity:10611957, activity:10622446, activity:10718699, activity:10745953, activity:10791475