608601

Source:http://linkedlifedata.com/resource/chembl/compound/608601

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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:608601_PKC-412_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
chemicalCompound:standardIn...	BMGQWWVMWDBQGC-IIFHNQTCSA-N
chemicalCompound:canonicalS...	CO[C@H]1[C@@H](C[C@H]2O[C@@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35)N(C)C(=O)c9ccccc9
chemicalCompound:molecularF...	C35H30N4O4
chemicalCompound:moleculeId	608601
chemicalCompound:mwFreebase	570.637
chemicalCompound:alogp	5.279
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	77.72
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.894
chemicalCompound:acdLogD	5.894
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	570.637
chemicalCompound:chemblId	CHEMBL608533
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:708601
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2890830, activity:2890868, activity:2890906, activity:2890944, activity:2890982, activity:2891020, activity:2891058, activity:2891096, activity:2891134, activity:2891172, activity:2891210, activity:2891269, activity:2891307, activity:2891345, activity:2891382, activity:2891420, activity:2891458, activity:2891496, activity:2891534, activity:2891572, activity:2891610, activity:2891648, activity:2892030, activity:2892068, activity:2892106, activity:2892144, activity:2892182, activity:2892220, activity:2892258, activity:2892296, activity:2892334, activity:2892372, activity:2892410, activity:2892465, activity:2892488, activity:2892526, activity:2892564, activity:2892602, activity:2892640, activity:2892678, activity:2892716, activity:2892754, activity:2892792, activity:2892830, activity:2893226, activity:2893264, activity:2893302, activity:2893340, activity:2893378, activity:2893416, activity:2893454, activity:2893492, activity:2893530, activity:2893568, activity:2893606, activity:2893644, activity:2893653, activity:2893691, activity:2894111, activity:2894149, activity:2894187, activity:2894225, activity:2894263, activity:2894301, activity:2894339, activity:2894377, activity:2894415