147491

Source:http://linkedlifedata.com/resource/chembl/compound/147491

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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/C52H67N5O8/c1-7-21-62-45-35-13-11-14-36(45)26-40-30-44-32-42(48(40)65-24-10-4)28-38-16-12-15-37(46(38)63-22-8-2)27-41-31-43(29-39(25-35)47(41)64-23-9-3)51(60)56-33(5)49(58)54-19-17-53-18-20-55-50(59)34(6)57-52(44)61/h11-16,29-34,53H,7-10,17-28H2,1-6H3,(H,54,58)(H,55,59)(H,56,60)(H,57,61)/t33-,34-/m0/s1
chemicalCompound:standardIn...	BQZCHVNMHIDVMF-HEVIKAOCSA-N
chemicalCompound:canonicalS...	CCCOc1c2Cc3cc4cc(Cc5cccc(Cc6cc(cc(Cc1ccc2)c6OCCC)C(=O)N[C@@H](C)C(=O)NCCNCCNC(=O)[C@H](C)NC4=O)c5OCCC)c3OCCC
chemicalCompound:molecularF...	C52 H67 N5 O8
chemicalCompound:moleculeId	147491
chemicalCompound:mwFreebase	890.117
chemicalCompound:alogp	8.248
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	165.34
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.144
chemicalCompound:acdLogP	12.029
chemicalCompound:acdLogD	10.614
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	890.117
chemicalCompound:acdMostBpk...	8.805
chemicalCompound:chemblId	CHEMBL90285
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:247491
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:109993, activity:109994, activity:109995, activity:109996, activity:109997, activity:109998, activity:109999, activity:110000, activity:110001