1078485

Source:http://linkedlifedata.com/resource/chembl/compound/1078485

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:454298
chemicalCompound:standardIn...	InChI=1S/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1/p-2/t21-,23-,24-,27+,30+,31-,32-,33+,34+;;/m0../s1
chemicalCompound:standardIn...	BQENDLAVTKRQMS-SBBGFIFASA-L
chemicalCompound:canonicalS...	[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)[O-])OC(=O)CCC(=O)[O-]
chemicalCompound:molecularF...	C34H48Na2O7
chemicalCompound:moleculeId	1078485
chemicalCompound:mwFreebase	570.757
chemicalCompound:alogp	5.88
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	117.97
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.402
chemicalCompound:acdLogP	6.63
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	614.72
chemicalCompound:chemblId	CHEMBL1697717
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1178485
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CARBENOXOLONE DISODIUM
chemicalCompound:activity	activity:5316417, activity:5316552, activity:7840070