Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36+,37+/m0/s1
chemicalCompound:standardIn...
OBZTVKAUYYDOFM-WOKAEJKNSA-N
chemicalCompound:canonicalS...
CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N
chemicalCompound:molecularF...
C47 H75 N15 O9
chemicalCompound:moleculeId
103404
chemicalCompound:mwFreebase
994.193
chemicalCompound:alogp
-1.044
chemicalCompound:hba
16
chemicalCompound:hbd
14
chemicalCompound:psa
407.84
chemicalCompound:rtb
32
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
9.989
chemicalCompound:acdLogP
0.969
chemicalCompound:acdLogD
-2.735
chemicalCompound:molecularS...
chemicalCompound:fullMwt
994.193
chemicalCompound:acdMostBpk...
13.562
chemicalCompound:chemblId
CHEMBL274875
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