433556

Source:http://linkedlifedata.com/resource/chembl/compound/433556

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:433556_Isavuconazole_OTHER
chemicalCompound:standardIn...	InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1
chemicalCompound:standardIn...	DDFOUSQFMYRUQK-RCDICMHDSA-N
chemicalCompound:canonicalS...	C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](O)(Cn3cncn3)c4cc(F)ccc4F
chemicalCompound:molecularF...	C22 H17 F2 N5 O S
chemicalCompound:moleculeId	433556
chemicalCompound:mwFreebase	437.465
chemicalCompound:alogp	3.904
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	115.86
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.42
chemicalCompound:acdLogP	3.098
chemicalCompound:acdLogD	3.098
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	437.465
chemicalCompound:acdMostBpk...	2.703
chemicalCompound:chemblId	CHEMBL409153
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:533556
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	ISAVUCONAZOLE
chemicalCompound:activity	activity:2123771, activity:2123772, activity:2123791, activity:2123792, activity:2123801, activity:2123802, activity:2123811, activity:2123812, activity:2123821, activity:2123822, activity:2123831, activity:2123832, activity:3474370, activity:3474377, activity:3474384, activity:3474391, activity:3474398, activity:3474405, activity:3474412, activity:3474419, activity:3474426, activity:3474433, activity:3474440, activity:3474447, activity:3474454, activity:3474461, activity:3474468, activity:3474475, activity:3474482, activity:3474489, activity:3474496, activity:3474503, activity:3474510, activity:3474612, activity:3474613, activity:3474614, activity:3474615, activity:3474616, activity:3474617, activity:3474618, activity:3474619, activity:3474620, activity:3474621, activity:3474622, activity:3474623, activity:3474624, activity:3474625, activity:3474626, activity:3474627, activity:3474628, activity:3474629, activity:3474630, activity:3474631, activity:3474632, activity:3474633, activity:3474634, activity:3474635, activity:3474636, activity:3474637, activity:3474638, activity:3474639, activity:3475682, activity:3480317, activity:3480318