1249146

Source:http://linkedlifedata.com/resource/chembl/compound/1249146

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1285271
chemicalCompound:standardIn...	InChI=1S/C20H25N7O3.C2HF3O2/c1-4-27-17-14(29-11-12-6-5-9-22-12)10-23-13(7-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16;3-2(4,5)1(6)7/h10,12,22,28H,4-6,9,11H2,1-3H3,(H2,21,26);(H,6,7)/t12-;/m0./s1
chemicalCompound:standardIn...	QQQGLCMEJYJOMK-YDALLXLXSA-N
chemicalCompound:canonicalS...	CCn1c(nc2c(ncc(OC[C@@H]3CCCN3)c12)C#CC(C)(C)O)c4nonc4N.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C22H26F3N7O5
chemicalCompound:moleculeId	1249146
chemicalCompound:mwFreebase	411.458
chemicalCompound:alogp	1.773
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	137.14
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.112
chemicalCompound:acdLogP	1.69
chemicalCompound:acdLogD	-0.599
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	525.481
chemicalCompound:acdMostBpk...	9.779
chemicalCompound:chemblId	CHEMBL1909375
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1349146
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:8111469, activity:8111470, activity:8111471, activity:8111472, activity:8111473, activity:8111474, activity:8111475, activity:8111476, activity:8111477, activity:8111478, activity:8111479, activity:8111480, activity:8111481, activity:8111482, activity:8111483, activity:8111484, activity:8111485, activity:8111486, activity:8111487, activity:8111488, activity:8111489, activity:8111490, activity:8111491, activity:8111492, activity:8111493, activity:8111494, activity:8111495, activity:8111496, activity:8111497, activity:8111498, activity:8111499, activity:8111500, activity:8111501, activity:8111502, activity:8111503, activity:8111504, activity:8111505, activity:8111506, activity:8111507, activity:8111508, activity:8111509, activity:8111510, activity:8111511, activity:8111512, activity:8111513, activity:8111514, activity:8111515, activity:8111516, activity:8111517, activity:8111518, activity:8111519, activity:8111520, activity:8111521, activity:8111522, activity:8111523, activity:8111524, activity:8111525, activity:8111526, activity:8111527, activity:8111528, activity:8111529, activity:8111530, activity:8111531, activity:8111532, activity:8111533