294703

Source:http://linkedlifedata.com/resource/chembl/compound/294703

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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/C39H44N4O4S/c1-41(2)30-19-23-42(24-20-30)37(44)16-10-25-47-35-27-29(39(46)43-22-9-8-15-36-34(43)21-26-48-36)17-18-33(35)40-38(45)32-14-7-6-13-31(32)28-11-4-3-5-12-28/h3-7,11-14,17-18,21,26-27,30H,8-10,15-16,19-20,22-25H2,1-2H3,(H,40,45)
chemicalCompound:standardIn...	LKUCMBNAHQWPJK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)C1CCN(CC1)C(=O)CCCOc2cc(ccc2NC(=O)c3ccccc3c4ccccc4)C(=O)N5CCCCc6sccc56
chemicalCompound:molecularF...	C39 H44 N4 O4 S
chemicalCompound:moleculeId	294703
chemicalCompound:mwFreebase	664.856
chemicalCompound:alogp	5.572
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	110.43
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.244
chemicalCompound:acdLogP	6.188
chemicalCompound:acdLogD	4.724
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	664.856
chemicalCompound:acdMostBpk...	9.149
chemicalCompound:chemblId	CHEMBL430083
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:394703
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:857729, activity:857730, activity:857731, activity:857732, activity:857733, activity:857734