154107

Source:http://linkedlifedata.com/resource/chembl/compound/154107

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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/C26H29Cl2N5O4/c27-20-6-7-22-19(13-20)14-30-24(34)17-33-23(28)16-31-25(26(33)35)32-21(12-18-4-2-1-3-5-18)15-29-8-9-36-10-11-37-22/h1-7,13,16,21,29H,8-12,14-15,17H2,(H,30,34)(H,31,32)/t21-/m0/s1
chemicalCompound:standardIn...	SFGQHQOPLLWNCX-NRFANRHFSA-N
chemicalCompound:canonicalS...	ClC1=CN=C2N[C@@H](Cc3ccccc3)CNCCOCCOc4ccc(Cl)cc4CNC(=O)CN1C2=O
chemicalCompound:molecularF...	C26 H29 Cl2 N5 O4
chemicalCompound:moleculeId	154107
chemicalCompound:mwFreebase	546.446
chemicalCompound:alogp	1.946
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	104.29
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.255
chemicalCompound:acdLogP	3.055
chemicalCompound:acdLogD	1.575
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	546.446
chemicalCompound:acdMostBpk...	8.584
chemicalCompound:chemblId	CHEMBL96354
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:254107
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:542565, activity:542566, activity:542567, activity:542568, activity:542569, activity:542570