93475

Source:http://linkedlifedata.com/resource/chembl/compound/93475

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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/C38H32N6O8/c1-51-33-27-20(12-24(41-27)36(49)44-15-16-14-38(16)22-6-4-3-5-19(22)25(45)13-26(38)44)17-7-9-42(29(17)31(33)46)35(48)23-11-21-18-8-10-43(37(39)50)30(18)32(47)34(52-2)28(21)40-23/h3-6,11-13,16,40-41,46-47H,7-10,14-15H2,1-2H3,(H2,39,50)/t16?,38-/m1/s1
chemicalCompound:standardIn...	VEENFIHWIKNCAR-ZLMCIAKXSA-N
chemicalCompound:canonicalS...	COc1c(O)c2N(CCc2c3cc([nH]c13)C(=O)N4CCc5c4c(O)c(OC)c6[nH]c(cc56)C(=O)N7CC8C[C@@]89C7=CC(=O)c%10ccccc9%10)C(=O)N
chemicalCompound:molecularF...	C38 H32 N6 O8
chemicalCompound:moleculeId	93475
chemicalCompound:mwFreebase	700.696
chemicalCompound:alogp	3.47
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	194.51
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.194
chemicalCompound:acdLogP	0.802
chemicalCompound:acdLogD	0.736
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	700.696
chemicalCompound:acdMostBpk...	0.413
chemicalCompound:chemblId	CHEMBL303355
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:193475
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:587732, activity:587733, activity:587734, activity:587735, activity:587736, activity:587737, activity:587738, activity:587739