707807

Source:http://linkedlifedata.com/resource/chembl/compound/707807

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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/C30H35N7O3S/c1-35-11-13-37(14-12-35)23-9-7-22(8-10-23)29(38)32-28-27-24(33-34-28)19-26(41-27)30(39)31-25(21-5-3-2-4-6-21)20-36-15-17-40-18-16-36/h2-10,19,25H,11-18,20H2,1H3,(H,31,39)(H2,32,33,34,38)/t25-/m1/s1
chemicalCompound:standardIn...	APULUFKDCXQRIE-RUZDIDTESA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3n[nH]c4cc(sc34)C(=O)N[C@H](CN5CCOCC5)c6ccccc6
chemicalCompound:molecularF...	C30H35N7O3S
chemicalCompound:moleculeId	707807
chemicalCompound:mwFreebase	573.709
chemicalCompound:alogp	3.808
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	134.07
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.67
chemicalCompound:acdLogP	0.449
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	573.709
chemicalCompound:acdMostBpk...	7.6
chemicalCompound:chemblId	CHEMBL1258793
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:807807
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:3504253, activity:3504275, activity:3504295