573962

Source:http://linkedlifedata.com/resource/chembl/compound/573962

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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/C40H49N5O7/c1-25-33(26(2)52-44-25)29-18-16-28(17-19-29)24-45(43-36(47)35(39(3,4)5)42-38(49)51-6)21-20-40(50,23-27-12-8-7-9-13-27)37(48)41-34-31-15-11-10-14-30(31)22-32(34)46/h7-19,32,34-35,46,50H,20-24H2,1-6H3,(H,41,48)(H,42,49)(H,43,47)/t32-,34+,35-,40-/m1/s1
chemicalCompound:standardIn...	FMVJLWYDEAUVJG-ZCRNRGLPSA-N
chemicalCompound:canonicalS...	COC(=O)N[C@H](C(=O)NN(CC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)Cc4ccc(cc4)c5c(C)onc5C)C(C)(C)C
chemicalCompound:molecularF...	C40H49N5O7
chemicalCompound:moleculeId	573962
chemicalCompound:mwFreebase	711.846
chemicalCompound:alogp	4.137
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	166.26
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.119
chemicalCompound:acdLogP	4.793
chemicalCompound:acdLogD	4.792
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	711.846
chemicalCompound:acdMostBpk...	1.56
chemicalCompound:chemblId	CHEMBL583564
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:673962
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:2945407, activity:2945440, activity:2945473