314132

Source:http://linkedlifedata.com/resource/chembl/compound/314132

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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:3965
chemicalCompound:standardIn...	InChI=1S/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;23-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);23H,1-2H2,(H,4,5,6)
chemicalCompound:standardIn...	YBVNFKZSMZGRAD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O
chemicalCompound:molecularF...	C19 H24 N4 O2 . 2 C2 H6 O4 S
chemicalCompound:moleculeId	314132
chemicalCompound:mwFreebase	340.419
chemicalCompound:alogp	2.657
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	118.2
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.848
chemicalCompound:acdLogD	-0.152
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	592.683
chemicalCompound:acdMostBpk...	12.498
chemicalCompound:chemblId	CHEMBL361506
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:414132
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:3607865, activity:3640151, activity:3650434, activity:3657972, activity:3659417, activity:3698397, activity:3759415, activity:3764154, activity:3774741, activity:3778306, activity:3778853, activity:3866022, activity:3867862, activity:3891090, activity:3894553, activity:3902781, activity:3903959, activity:3919659, activity:3951292, activity:4106329, activity:4140904, activity:4291409, activity:4370534, activity:4466490, activity:4670727, activity:4714034, activity:4723437, activity:4783619, activity:4872813, activity:4896364, activity:4901556, activity:4902033, activity:4976446, activity:4980601, activity:5068956, activity:5520961, activity:5866360, activity:5992734, activity:6015500, activity:6036763, activity:6040142, activity:6047711, activity:6739356, activity:7011256, activity:7015074, activity:7026140, activity:7037092, activity:7050735, activity:7066982, activity:7224201, activity:7479846, activity:7484213, activity:7488810, activity:7505534, activity:7507170, activity:7549688