4775

Source:http://linkedlifedata.com/resource/chembl/compound/4775

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:4775_Condylox_TRADE_NAME, synonym:4775_Podofilox_FDA_ALTERNATIVE_NAME, synonym:4775_Podofilox_TRADE_NAME, synonym:4775_Podofilox_USAN, synonym:4775_Podophyllotoxin_BAN, synonym:4775_Podophyllotoxin_INN
chemicalCompound:standardIn...	InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
chemicalCompound:standardIn...	YJGVMLPVUAXIQN-XVVDYKMHSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24
chemicalCompound:molecularF...	C22H22O8
chemicalCompound:moleculeId	4775
chemicalCompound:mwFreebase	414.405
chemicalCompound:alogp	2.111
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	92.68
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.26
chemicalCompound:acdLogP	2.345
chemicalCompound:acdLogD	2.345
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	414.405
chemicalCompound:chemblId	CHEMBL61
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:104775
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PODOFILOX
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:50305
chemicalCompound:firstAppro...	1990
chemicalCompound:activity	activity:39013, activity:39014, activity:39423, activity:88796, activity:88797, activity:141242, activity:141243, activity:141244, activity:141245, activity:179072, activity:202401, activity:202402, activity:202403, activity:202404, activity:239800, activity:270290, activity:270291, activity:270292, activity:316905, activity:316906, activity:338329, activity:338330, activity:357575, activity:367039, activity:413891, activity:413892, activity:413893, activity:413894, activity:413895, activity:413896, activity:413897, activity:415834, activity:415835, activity:474966, activity:474967, activity:474968, activity:474969, activity:474970, activity:474971, activity:474972, activity:474973, activity:474974, activity:474975, activity:474976, activity:489371, activity:489372, activity:489373, activity:489374, activity:514114, activity:514115, activity:514116, activity:521759, activity:521760, activity:521761, activity:521762, activity:521763, activity:521764, activity:589013