63895

Source:http://linkedlifedata.com/resource/chembl/compound/63895

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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/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
chemicalCompound:standardIn...	WQLVFSAGQJTQCK-VKROHFNGSA-N
chemicalCompound:canonicalS...	C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C
chemicalCompound:molecularF...	C27H42O3
chemicalCompound:moleculeId	63895
chemicalCompound:mwFreebase	414.621
chemicalCompound:alogp	4.633
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	38.69
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.602
chemicalCompound:acdLogD	6.602
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	414.621
chemicalCompound:chemblId	CHEMBL412437
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:163895
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	DISOGENIN
chemicalCompound:activity	activity:1032820, activity:1961213, activity:1961335, activity:1961337, activity:2536703, activity:2536706, activity:2536713, activity:2536724, activity:2536726, activity:2536733, activity:2536740, activity:2536759, activity:2536771, activity:2536772, activity:2536773, activity:2536774, activity:2536775, activity:2536776, activity:2536777, activity:2536778, activity:2536779, activity:3343972, activity:3343973, activity:3343974, activity:3343975, activity:3343976, activity:3343977, activity:3343978, activity:3343979, activity:3343980, activity:3343981, activity:3343982, activity:3343983, activity:3355135, activity:6195010, activity:6195011, activity:6195012, activity:6195013, activity:6195014, activity:6195015, activity:6195016, activity:6195017, activity:6195018, activity:6195019, activity:6195020, activity:6195022, activity:7565330, activity:7565331, activity:7565332, activity:7565333, activity:7927420