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1048657
Source:
http://linkedlifedata.com/resource/chembl/compound/1048657
Search
Subject
Predicate
Object
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(
33
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:1048657
chemicalCompound:standardIn...
InChI=1S/C29H34N4O3S2/c1-21-18-22(2)27-26(19-21)30-29(37-27)33(17-9-16-31(3)4)28(34)24-12-14-25(15-13-24)38(35,36)32(5)20-23-10-7-6-8-11-23/h6-8,10-15,18-19H,9,16-17,20H2,1-5H3
lld:chembl
chemicalCompound:1048657
chemicalCompound:standardIn...
HGSRDXHNGMLSSA-UHFFFAOYSA-N
lld:chembl
chemicalCompound:1048657
chemicalCompound:canonicalS...
CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc2ccccc2)c3nc4cc(C)cc(C)c4s3
lld:chembl
chemicalCompound:1048657
chemicalCompound:molecularF...
C29H34N4O3S2
lld:chembl
chemicalCompound:1048657
chemicalCompound:moleculeId
1048657
lld:chembl
chemicalCompound:1048657
chemicalCompound:mwFreebase
550.735
lld:chembl
chemicalCompound:1048657
chemicalCompound:alogp
5.32
lld:chembl
chemicalCompound:1048657
chemicalCompound:hba
5
lld:chembl
chemicalCompound:1048657
chemicalCompound:hbd
0
lld:chembl
chemicalCompound:1048657
chemicalCompound:psa
110.43
lld:chembl
chemicalCompound:1048657
chemicalCompound:rtb
10
lld:chembl
chemicalCompound:1048657
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:1048657
chemicalCompound:numRo5viol...
2
lld:chembl
chemicalCompound:1048657
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:1048657
chemicalCompound:acdLogP
6.199
lld:chembl
chemicalCompound:1048657
chemicalCompound:acdLogD
4.406
lld:chembl
chemicalCompound:1048657
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:1048657
chemicalCompound:fullMwt
550.735
lld:chembl
chemicalCompound:1048657
chemicalCompound:acdMostBpk...
9.17
lld:chembl
chemicalCompound:1048657
chemicalCompound:chemblId
CHEMBL1625706
lld:chembl
chemicalCompound:1048657
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:1048657
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:1048657
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:1048657
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:1048657
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:1048657
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:1048657
chemicalCompound:oral
No
lld:chembl
chemicalCompound:1048657
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:1048657
chemicalCompound:topical
No
lld:chembl
chemicalCompound:1048657
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:1048657
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:1048657
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:1015616
chemicalCompound:parent
chemicalCompound:1048657
lld:chembl