429981

Source:http://linkedlifedata.com/resource/chembl/compound/429981

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:429981_Klinomycin_TRADE_NAME, synonym:429981_Minocin_TRADE_NAME, synonym:429981_Minocycline_BAN, synonym:429981_Minocycline_FDA_ALTERNATIVE_NAME, synonym:429981_Minocycline_INN, synonym:429981_Minocycline_USAN, synonym:429981_Vectrin_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,32-33H,7-8,24H2,1-4H3/b22-16-/t9-,11-,17-,23-/m0/s1
chemicalCompound:standardIn...	CUJCFMVUUMIFDR-NNQQPRJISA-N
chemicalCompound:canonicalS...	CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)/O)\C1=O)O)N(C)C
chemicalCompound:molecularF...	C23H27N3O7
chemicalCompound:moleculeId	429981
chemicalCompound:mwFreebase	457.476
chemicalCompound:alogp	0.405
chemicalCompound:hba	10
chemicalCompound:hbd	5
chemicalCompound:psa	164.63
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	8.672
chemicalCompound:acdLogD	5.954
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	457.476
chemicalCompound:acdMostBpk...	5.453
chemicalCompound:chemblId	CHEMBL259172
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:529981
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	MINOCYCLINE
chemicalCompound:activity	activity:67438, activity:85487, activity:133171, activity:669716, activity:669717, activity:669718, activity:669719, activity:669720, activity:669721, activity:669722, activity:669723, activity:669724, activity:669725, activity:669726, activity:883170, activity:1113027, activity:1113028, activity:1113029, activity:1252540, activity:1252541, activity:1252542, activity:1252543, activity:1252544, activity:1252545, activity:1252546, activity:1252547, activity:1252548, activity:1252549, activity:1252550, activity:1666224, activity:1666225, activity:1666226, activity:1666227, activity:1666228, activity:1666229, activity:1666230, activity:1666231, activity:1666232, activity:1666233, activity:1828455, activity:1828463, activity:1828472, activity:1828480, activity:1828487, activity:1828495, activity:1828503, activity:1828510, activity:1828517, activity:1828524, activity:1828531, activity:1829565, activity:1829566, activity:1829567, activity:1829568, activity:1829569, activity:1829570, activity:1829571, activity:1829572