13590

Source:http://linkedlifedata.com/resource/chembl/compound/13590

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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:13590_Mitomycin C_JAN, synonym:13590_Mitomycin_BAN, synonym:13590_Mitomycin_FDA_ALTERNATIVE_NAME, synonym:13590_Mitomycin_INN, synonym:13590_Mitomycin_TRADE_NAME, synonym:13590_Mitomycin_USAN, synonym:13590_Mitomycin_USP, synonym:13590_Mitozytrex_TRADE_NAME, synonym:13590_Mutamycin_TRADE_NAME, synonym:13590_Mytozytrex_OTHER, synonym:13590_NSC-26980_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1
chemicalCompound:standardIn...	NWIBSHFKIJFRCO-WUDYKRTCSA-N
chemicalCompound:canonicalS...	CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N
chemicalCompound:molecularF...	C15H18N4O5
chemicalCompound:moleculeId	13590
chemicalCompound:mwFreebase	334.327
chemicalCompound:alogp	-1.547
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	146.88
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.268
chemicalCompound:acdLogP	-0.298
chemicalCompound:acdLogD	-0.3
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	334.327
chemicalCompound:acdMostBpk...	5.082
chemicalCompound:chemblId	CHEMBL105
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113590
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	MITOMYCIN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:27504
chemicalCompound:activity	activity:89074, activity:89075, activity:89076, activity:89077, activity:89078, activity:89079, activity:89080, activity:89081, activity:89082, activity:89083, activity:89084, activity:89085, activity:89086, activity:89087, activity:89088, activity:89089, activity:89090, activity:89091, activity:89092, activity:89093, activity:89094, activity:89095, activity:89096, activity:89097, activity:89098, activity:117504, activity:117505, activity:117506, activity:131073, activity:131074, activity:131075, activity:181228, activity:181229, activity:181230, activity:181231, activity:183971, activity:183972, activity:183973, activity:183974, activity:183975, activity:183976, activity:183977, activity:183978, activity:183979, activity:183980, activity:183981, activity:188456, activity:188457, activity:239602, activity:239603, activity:239604, activity:239605, activity:247570