86409

Source:http://linkedlifedata.com/resource/chembl/compound/86409

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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:3965
chemicalCompound:synonym	synonym:86409_Nebupent_TRADE_NAME, synonym:86409_Pentacarinat_TRADE_NAME, synonym:86409_Pentam_TRADE_NAME, synonym:86409_Pentamidine Isethionate_USAN, synonym:86409_Pentamidine Isetionate_JAN, synonym:86409_Pentamidine isethionate_FDA_ALTERNATIVE_NAME, synonym:86409_Pentamidine isethionate_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C19H24N4O2.C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);3H,1-2H2,(H,4,5,6)
chemicalCompound:standardIn...	NYRHYBFMOOPIRI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O
chemicalCompound:molecularF...	C19 H24 N4 O2 . C2 H6 O4 S
chemicalCompound:moleculeId	86409
chemicalCompound:mwFreebase	340.419
chemicalCompound:alogp	2.657
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	118.2
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.848
chemicalCompound:acdLogD	-0.152
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	466.551
chemicalCompound:acdMostBpk...	12.498
chemicalCompound:chemblId	CHEMBL935
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:186409
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PENTAMIDINE ISETHIONATE
chemicalCompound:firstAppro...	1984
chemicalCompound:activity	activity:1034389, activity:1471393, activity:1471394, activity:1471395, activity:1471396, activity:1717014, activity:1717064, activity:1717068, activity:1717113, activity:1958588, activity:2066224, activity:2404960, activity:2700690, activity:2700694, activity:2700695, activity:3472960, activity:3480548, activity:3480549, activity:3480550, activity:3480551, activity:3480552, activity:3480553, activity:3480554, activity:3482614, activity:3482695, activity:3483479, activity:3483560, activity:3483640, activity:3483721, activity:3483802, activity:3621340, activity:3638348, activity:3692549, activity:3748530, activity:3768408, activity:3817231, activity:3859135, activity:3890355, activity:4037837, activity:4127704, activity:4389076, activity:4417586, activity:4631526, activity:4692761, activity:4927411, activity:4941663, activity:4948170, activity:4970163, activity:4996757, activity:5006823, activity:5011908, activity:5020278, activity:5023329, activity:5217340, activity:5230084, activity:5230085, activity:5230086