Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1
chemicalCompound:standardIn...
XLTANAWLDBYGFU-BVFBBISOSA-N
chemicalCompound:canonicalS...
CCN1C[C@]2(COC(=O)c3ccccc3N4C(=O)C[C@H](C)C4=O)CC[C@H](OC)[C@@]56[C@@H]7C[C@@H]8[C@H](C[C@@](O)([C@H]7[C@H]8OC)[C@](O)([C@@H](OC)[C@H]25)[C@H]16)OC
chemicalCompound:molecularF...
C37H50N2O10
chemicalCompound:moleculeId
482512
chemicalCompound:mwFreebase
682.8
chemicalCompound:alogp
0.102
chemicalCompound:hba
11
chemicalCompound:hbd
2
chemicalCompound:psa
144.3
chemicalCompound:rtb
10
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.179
chemicalCompound:acdLogP
1.314
chemicalCompound:acdLogD
1.302
chemicalCompound:molecularS...
chemicalCompound:fullMwt
682.8
chemicalCompound:acdMostBpk...
5.53
chemicalCompound:chemblId
CHEMBL510275
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
METHYLLYCACONITINE
chemicalCompound:activity
activity:92971, activity:719439, activity:719440, activity:761373, activity:761374, activity:841188, activity:841189, activity:883175, activity:1064126, activity:1064127, activity:1241061, activity:1520467, activity:1520468, activity:1600365, activity:1600366, activity:1921153, activity:1921259, activity:1921311, activity:1921362, activity:1921364, activity:1921424, activity:1921425, activity:1921518, activity:1921613, activity:1921657, activity:1921888, activity:1921933, activity:1921990, activity:1921991, activity:1922002, activity:1922003, activity:1922014, activity:1922015, activity:1922026, activity:1922027, activity:1922033, activity:1922044, activity:1922045, activity:1922056, activity:1922057, activity:1922068, activity:1922069, activity:1922080, activity:1922081, activity:1922089, activity:1922097, activity:1922108, activity:1922109, activity:1922124, activity:1922125, activity:1922133, activity:1922145, activity:1922146, activity:1922159, activity:1922160, activity:1922172, activity:1922173, activity:1922181, activity:1922462, activity:1922463, activity:1922545, activity:1922546, activity:1922569, activity:1922579, activity:1922580
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