Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:synonym
chemicalCompound:standardIn...
InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1
chemicalCompound:standardIn...
WHLPIOSHBKQGHA-KYJUHHDHSA-N
chemicalCompound:canonicalS...
Cc1nccn1CCCCc2ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3)cc2
chemicalCompound:molecularF...
C33H52N6O4
chemicalCompound:moleculeId
198
chemicalCompound:mwFreebase
596.804
chemicalCompound:alogp
2.941
chemicalCompound:hba
6
chemicalCompound:hbd
5
chemicalCompound:psa
151.37
chemicalCompound:rtb
19
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.814
chemicalCompound:acdLogP
3.957
chemicalCompound:acdLogD
0.686
chemicalCompound:molecularS...
chemicalCompound:fullMwt
596.804
chemicalCompound:acdMostBpk...
10.433
chemicalCompound:chemblId
CHEMBL6269
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
SC-58272
chemicalCompound:activity