705646

Source:http://linkedlifedata.com/resource/chembl/compound/705646

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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:16396
chemicalCompound:standardIn...	InChI=1S/C29H31N5O3.ClH/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34;/h5-12,17-18H,13-16H2,1-4H3,(H,31,35);1H
chemicalCompound:standardIn...	SRVVUYIJVBLEJI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc(NC(=O)c2ccc(cc2)c3ccc(cc3C)c4noc(C)n4)cc1N5CCN(C)CC5
chemicalCompound:molecularF...	C29H32ClN5O3
chemicalCompound:moleculeId	705646
chemicalCompound:mwFreebase	497.588
chemicalCompound:alogp	4.373
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	83.73
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.552
chemicalCompound:acdLogP	3.69
chemicalCompound:acdLogD	3.294
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	534.049
chemicalCompound:acdMostBpk...	7.762
chemicalCompound:chemblId	CHEMBL1256656
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805646
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:3472947, activity:3481571, activity:3482378, activity:3482397, activity:3482472, activity:3482495, activity:3482513, activity:3482532, activity:3635963, activity:3661405, activity:3696277, activity:3778471, activity:3782691, activity:3878943, activity:3897310, activity:3932790, activity:3941347, activity:3971993, activity:3974044, activity:4042058, activity:4202180, activity:4279360, activity:4358622, activity:4403348, activity:4536131, activity:4538974, activity:4578085, activity:4764606, activity:4941156, activity:4970470, activity:5033310, activity:5065115, activity:5352483, activity:5478442, activity:5500416, activity:5571884, activity:5608567, activity:5667867, activity:5744901, activity:5746387, activity:5822460, activity:5856640, activity:5875920, activity:5934691, activity:5985753, activity:6551023, activity:6609219, activity:6890582, activity:6941599, activity:7008781, activity:7054784, activity:7072277, activity:7138263, activity:7266210, activity:7353356, activity:7528194