495396

Source:http://linkedlifedata.com/resource/chembl/compound/495396

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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/C27H30FN7O3/c1-16(2)34-11-13-35(14-12-34)17-7-8-20(22(15-17)38-3)31-27-32-24-18(9-10-29-24)25(33-27)30-21-6-4-5-19(28)23(21)26(36)37/h4-10,15-16H,11-14H2,1-3H3,(H,36,37)(H3,29,30,31,32,33)
chemicalCompound:standardIn...	CMBHUJIHAZQWHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1Nc2nc(Nc3cccc(F)c3C(=O)O)c4cc[nH]c4n2)N5CCN(CC5)C(C)C
chemicalCompound:molecularF...	C27H30FN7O3
chemicalCompound:moleculeId	495396
chemicalCompound:mwFreebase	519.571
chemicalCompound:alogp	2.334
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	118.63
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.359
chemicalCompound:acdLogP	5.799
chemicalCompound:acdLogD	3.091
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	519.571
chemicalCompound:acdMostBpk...	8.276
chemicalCompound:chemblId	CHEMBL514261
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:595396
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:2600032, activity:2600034, activity:2600036, activity:8221350, activity:8221351, activity:8221352, activity:8221353, activity:8221354, activity:8221355, activity:8221356, activity:8221357, activity:8221358, activity:8221359, activity:8221360, activity:8221361, activity:8221362, activity:8221363, activity:8221364, activity:8221365, activity:8221366, activity:8221367, activity:8221368, activity:8221369, activity:8221370, activity:8221371, activity:8221372, activity:8221373, activity:8221374, activity:8221375, activity:8221376, activity:8221377, activity:8221378, activity:8221379, activity:8221380, activity:8221381, activity:8221382, activity:8221383, activity:8221384, activity:8221385, activity:8221386, activity:8221387, activity:8221388, activity:8221389, activity:8221390, activity:8221391, activity:8221392, activity:8221393, activity:8221394, activity:8221395, activity:8221396, activity:8221397, activity:8221398, activity:8221399, activity:8221400, activity:8221401, activity:8221402, activity:8221403, activity:8221404, activity:8221405, activity:8221406, activity:8221407, activity:8221408, activity:8221409, activity:8221410, activity:8221411, activity:8221412