466700

Source:http://linkedlifedata.com/resource/chembl/compound/466700

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:466700_SCLEROTININ B_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C12H14O5/c1-5-7-4-12(3,16)17-11(15)8(7)10(14)6(2)9(5)13/h13-14,16H,4H2,1-3H3
chemicalCompound:standardIn...	GWCJDGBOQAPHGT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1c(O)c(C)c2CC(C)(O)OC(=O)c2c1O
chemicalCompound:molecularF...	C12H14O5
chemicalCompound:moleculeId	466700
chemicalCompound:mwFreebase	238.237
chemicalCompound:alogp	1.589
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	86.99
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.708
chemicalCompound:acdLogP	2.152
chemicalCompound:acdLogD	2.13
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	238.237
chemicalCompound:chemblId	CHEMBL510199
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:566700
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	SCLEROTININ B
chemicalCompound:activity	activity:2212660