167995

Source:http://linkedlifedata.com/resource/chembl/compound/167995

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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:167995_Doramapimod_OTHER
chemicalCompound:standardIn...	InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
chemicalCompound:standardIn...	MVCOAUNKQVWQHZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(OCCN4CCOCC4)c5ccccc35)C(C)(C)C
chemicalCompound:molecularF...	C31H37N5O3
chemicalCompound:moleculeId	167995
chemicalCompound:mwFreebase	527.657
chemicalCompound:alogp	5.907
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80.65
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.465
chemicalCompound:acdLogP	4.437
chemicalCompound:acdLogD	4.393
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	527.657
chemicalCompound:acdMostBpk...	6.416
chemicalCompound:chemblId	CHEMBL103667
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:267995
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	BIRB796
chemicalCompound:activity	activity:172223, activity:172224, activity:172225, activity:172226, activity:172227, activity:172228, activity:172229, activity:172230, activity:172231, activity:911824, activity:911825, activity:911826, activity:911827, activity:911828, activity:911829, activity:911830, activity:911831, activity:911832, activity:911833, activity:911834, activity:911835, activity:911836, activity:911837, activity:911838, activity:911839, activity:911840, activity:911841, activity:911842, activity:911843, activity:911844, activity:911845, activity:911846, activity:911847, activity:911848, activity:911849, activity:911850, activity:911851, activity:911852, activity:911853, activity:1102613, activity:1102614, activity:1102615, activity:1109306, activity:1109307, activity:1109308, activity:1497913, activity:1497914, activity:1497915, activity:1651075, activity:1651086, activity:1651097, activity:1651108, activity:1651119, activity:1651130, activity:1651141, activity:1651152, activity:1651163, activity:1651174, activity:1651185, activity:1651196, activity:1651207, activity:1651218, activity:1651229, activity:1651240