71516

Source:http://linkedlifedata.com/resource/chembl/compound/71516

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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:71516_Velban_OTHER, synonym:71516_Velban_TRADE_NAME, synonym:71516_Vinblastine_INN
chemicalCompound:standardIn...	InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
chemicalCompound:standardIn...	JXLYSJRDGCGARV-CFWMRBGOSA-N
chemicalCompound:canonicalS...	CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
chemicalCompound:molecularF...	C46H58N4O9
chemicalCompound:moleculeId	71516
chemicalCompound:mwFreebase	810.974
chemicalCompound:alogp	4.887
chemicalCompound:hba	12
chemicalCompound:hbd	3
chemicalCompound:psa	154.1
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.364
chemicalCompound:acdLogP	5.922
chemicalCompound:acdLogD	5.429
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	810.974
chemicalCompound:acdMostBpk...	7.899
chemicalCompound:chemblId	CHEMBL159
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:171516
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	VINBLASTINE
chemicalCompound:activity	activity:84885, activity:84886, activity:84887, activity:138440, activity:138441, activity:138442, activity:138443, activity:138444, activity:138445, activity:138446, activity:138447, activity:138448, activity:138449, activity:138450, activity:138451, activity:138452, activity:138453, activity:173981, activity:173982, activity:173983, activity:173984, activity:182232, activity:182233, activity:182234, activity:196699, activity:196700, activity:196701, activity:196702, activity:251112, activity:251113, activity:278354, activity:394046, activity:394047, activity:394048, activity:394049, activity:494155, activity:494156, activity:494157, activity:494158, activity:494159, activity:494160, activity:494161, activity:494162, activity:494163, activity:494164, activity:546542, activity:546543, activity:546544, activity:546545, activity:559966, activity:559967, activity:559968, activity:559969, activity:559970, activity:559971, activity:559972, activity:559973, activity:559974, activity:572567, activity:572568, activity:572569, activity:572570