425067

Source:http://linkedlifedata.com/resource/chembl/compound/425067

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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:425067_LATRUNCULIN A_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1
chemicalCompound:standardIn...	DDVBPZROPPMBLW-IZGXTMSKSA-N
chemicalCompound:canonicalS...	C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]3CSC(=O)N3)OC(=O)\C=C(\C)/CC\C=C\C=C/1
chemicalCompound:molecularF...	C22H31NO5S
chemicalCompound:moleculeId	425067
chemicalCompound:mwFreebase	421.55
chemicalCompound:alogp	4.111
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.16
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.763
chemicalCompound:acdLogP	4.799
chemicalCompound:acdLogD	4.799
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	421.55
chemicalCompound:chemblId	CHEMBL404116
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:525067
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	LATRUNCULIN A
chemicalCompound:activity	activity:2153354, activity:2153355, activity:2153356, activity:2153357, activity:2153358, activity:2153359, activity:2153360, activity:2153371, activity:2153372, activity:2153378, activity:2187886, activity:2187887, activity:2297863, activity:2297864, activity:2297900, activity:2297933, activity:2297934, activity:2297936, activity:2297958, activity:2310082, activity:2310083, activity:2310084, activity:2320565, activity:2396875, activity:2396881, activity:2396894, activity:2396912, activity:2396918, activity:3069349, activity:3069350, activity:3069351, activity:3418100, activity:3418101, activity:3431051, activity:3462664, activity:3462665, activity:5141469, activity:7990745, activity:7990761, activity:7990777, activity:7990793, activity:7990809, activity:7990825, activity:7990845, activity:8245639, activity:8257325, activity:8310166, activity:8366704, activity:8400402, activity:8411741, activity:8469117, activity:8497900, activity:8515410, activity:8571947, activity:8592167, activity:8668909, activity:8723620, activity:8763941, activity:8770873, activity:8800396, activity:8829954, activity:8903492, activity:8924174, activity:8966980, activity:9043822