Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14?,17?,19-,22?,27?,33-/m0/s1
chemicalCompound:standardIn...
ZOCKGBMQLCSHFP-ZQUOIQDWSA-N
chemicalCompound:canonicalS...
CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1
chemicalCompound:molecularF...
C34 H36 F3 N O13
chemicalCompound:moleculeId
25161
chemicalCompound:mwFreebase
723.644
chemicalCompound:alogp
3.024
chemicalCompound:hba
13
chemicalCompound:hbd
5
chemicalCompound:psa
215.21
chemicalCompound:rtb
12
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
7.339
chemicalCompound:acdLogP
4.074
chemicalCompound:acdLogD
3.555
chemicalCompound:molecularS...
chemicalCompound:fullMwt
723.644
chemicalCompound:chemblId
CHEMBL20225
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:activity
activity:91119, activity:171533, activity:171534, activity:171535, activity:669272, activity:669273, activity:669274, activity:669275, activity:669276, activity:694177, activity:694178, activity:694179, activity:694180, activity:694181, activity:694182, activity:694183, activity:694184, activity:694185, activity:694186, activity:694187, activity:702420, activity:702421, activity:906937, activity:906938, activity:1004172, activity:8231597, activity:8321165, activity:8349728, activity:8395524, activity:8428921, activity:8439813, activity:8490700, activity:8528417, activity:8575965, activity:8582708, activity:8652409, activity:8681802, activity:8770413, activity:8772113, activity:8798036, activity:8804387, activity:8923585, activity:8970847, activity:8986684, activity:9011069, activity:9025368, activity:9101205, activity:9107989, activity:9182825, activity:9183520, activity:9208619, activity:9287301, activity:9301822, activity:9309857, activity:9320473, activity:9370550, activity:9438962, activity:9450199, activity:9517353, activity:9535566, activity:9685326, activity:9711505, activity:9749333, activity:9776950, activity:9812249, activity:9887239, activity:9925232
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