350635

Source:http://linkedlifedata.com/resource/chembl/compound/350635

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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/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
chemicalCompound:standardIn...	BPNUQXPIQBZCMR-IBGZPJMESA-N
chemicalCompound:canonicalS...	Cc1n[nH]c2ccc(cc12)c3cncc(OC[C@@H](N)Cc4ccccc4)c3
chemicalCompound:molecularF...	C22H22N4O
chemicalCompound:moleculeId	350635
chemicalCompound:mwFreebase	358.436
chemicalCompound:alogp	3.212
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	76.81
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.431
chemicalCompound:acdLogP	1.855
chemicalCompound:acdLogD	1.643
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	358.436
chemicalCompound:acdMostBpk...	7.308
chemicalCompound:chemblId	CHEMBL379218
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:450635
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:1739095, activity:1739098, activity:1739100, activity:1739103, activity:1739104, activity:1739105, activity:1739108, activity:1739110, activity:1739113, activity:1739116, activity:1739117, activity:1739120, activity:1739123, activity:1739124, activity:1739128, activity:1739132, activity:1739133, activity:1739135, activity:1739142, activity:1739174, activity:1739211, activity:1900590, activity:1900591, activity:1900692, activity:1900699, activity:1900703, activity:1900707, activity:1900736, activity:1900737, activity:1900738, activity:1900739, activity:1900740, activity:1900741, activity:1900742, activity:1900743, activity:1900744, activity:1900745, activity:1900746, activity:1900747, activity:1900748, activity:1900749, activity:1900781, activity:1900782, activity:1900796, activity:3075718, activity:3075742, activity:7578606, activity:7578607, activity:7578608, activity:7578609, activity:7578610, activity:7578611, activity:7578612, activity:7578613, activity:7578614, activity:7578615, activity:7578616, activity:7578617, activity:7578618, activity:7578619, activity:7578620, activity:7578621, activity:7578622, activity:7578623, activity:7578624, activity:7578625