346467

Source:http://linkedlifedata.com/resource/chembl/compound/346467

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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:346467_Epoxomicin_OTHER
chemicalCompound:standardIn...	InChI=1S/C28H50N4O7/c1-11-16(5)21(30-27(38)23(17(6)12-2)32(10)19(8)34)25(36)31-22(18(7)33)26(37)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,33H,11-14H2,1-10H3,(H,29,37)(H,30,38)(H,31,36)/t16-,17-,18+,20-,21-,22-,23-,28+/m0/s1
chemicalCompound:standardIn...	DOGIDQKFVLKMLQ-JTHVHQAWSA-N
chemicalCompound:canonicalS...	CC[C@H](C)[C@H](NC(=O)[C@@H]([C@@H](C)CC)N(C)C(=O)C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(C)CO1
chemicalCompound:molecularF...	C28H50N4O7
chemicalCompound:moleculeId	346467
chemicalCompound:mwFreebase	554.719
chemicalCompound:alogp	1.599
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	157.44
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.022
chemicalCompound:acdLogP	3.414
chemicalCompound:acdLogD	3.413
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	554.719
chemicalCompound:chemblId	CHEMBL207990
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:446467
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	EPOXOMYCIN
chemicalCompound:activity	activity:266542, activity:266543, activity:266544, activity:266545, activity:266546, activity:266547, activity:843444, activity:843445, activity:843446, activity:843447, activity:1709366, activity:1709373, activity:1714313, activity:1714336, activity:1714470, activity:1714471, activity:1714472, activity:1714495, activity:1714503, activity:1727094, activity:1727100, activity:2115535, activity:2115545, activity:2115555, activity:2233113, activity:2233127, activity:2233141, activity:2276951, activity:2276961, activity:2277664, activity:2697972, activity:2697973, activity:2697974, activity:2697975, activity:2697976, activity:2697977, activity:3431189, activity:3431199, activity:3431209, activity:3493081, activity:3493100, activity:3493119, activity:5171004, activity:5171005, activity:5171006, activity:5171007, activity:5171008, activity:5171009, activity:5171010, activity:5171011, activity:8006279, activity:8006379, activity:8006382, activity:8007015, activity:8007059