1303301

Source:http://linkedlifedata.com/resource/chembl/compound/1303301

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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/C21H25N3OS/c1-13-6-5-7-14(10-13)11-16-18(25)22-19(26-16)24-23-17-12-15-8-9-21(17,4)20(15,2)3/h5-7,10-11,15H,8-9,12H2,1-4H3,(H,22,24,25)/b16-11+,23-17+
chemicalCompound:standardIn...	KIKZTEFIKRIYPY-XGJDHLGVSA-N
chemicalCompound:canonicalS...	Cc1cccc(\C=C/2\SC(=NC2=O)N\N=C\3/CC4CCC3(C)C4(C)C)c1
chemicalCompound:molecularF...	C21H25N3OS
chemicalCompound:moleculeId	1303301
chemicalCompound:mwFreebase	367.508
chemicalCompound:alogp	4.82
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	79.12
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.793
chemicalCompound:acdLogD	4.793
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	367.508
chemicalCompound:acdMostBpk...	2.391
chemicalCompound:chemblId	CHEMBL1982010
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1403301
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:3633185, activity:3641411, activity:3769264, activity:3896037, activity:4089044, activity:4108044, activity:4257899, activity:4395308, activity:4584960, activity:4879172, activity:4885616, activity:4966755, activity:5417223, activity:5515353, activity:5600223, activity:5802263, activity:5858079, activity:6545931, activity:6847670, activity:6868405, activity:6981542, activity:7026778, activity:7144727, activity:7225941, activity:7269345, activity:7319966, activity:7545134, activity:10076240