Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C40H50N8O7S/c1-23(2)19-33-39(54)44-29(16-18-56-3)36(51)43-28(13-14-34(41)49)35(50)47-32(21-25-22-42-27-12-8-7-11-26(25)27)38(53)46-31(20-24-9-5-4-6-10-24)37(52)45-30-15-17-48(33)40(30)55/h4-12,15,17,22-23,28-33,42H,13-14,16,18-21H2,1-3H3,(H2,41,49)(H,43,51)(H,44,54)(H,45,52)(H,46,53)(H,47,50)/t28-,29+,30?,31-,32+,33-/m0/s1
chemicalCompound:standardIn...
SMJMIHPLRYWRMV-YFYPIKANSA-N
chemicalCompound:canonicalS...
CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(=O)N)NC1=O)C2=O
chemicalCompound:molecularF...
C40 H50 N8 O7 S
chemicalCompound:moleculeId
17
chemicalCompound:mwFreebase
786.939
chemicalCompound:alogp
0.913
chemicalCompound:hba
8
chemicalCompound:hbd
7
chemicalCompound:psa
249.98
chemicalCompound:rtb
12
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
12.42
chemicalCompound:acdLogP
-0.354
chemicalCompound:acdLogD
-0.353
chemicalCompound:molecularS...
chemicalCompound:fullMwt
786.939
chemicalCompound:chemblId
CHEMBL266224
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