Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C41H64N14O11S2/c1-4-22(2)34-39(65)51-25(12-13-29(42)56)36(62)52-27(18-30(43)57)37(63)53-28(21-68-67-16-14-32(59)50-26(38(64)54-34)17-23-9-6-5-7-10-23)40(66)55(3)20-33(60)49-24(11-8-15-47-41(45)46)35(61)48-19-31(44)58/h5-7,9-10,22,24-28,34H,4,8,11-21H2,1-3H3,(H2,42,56)(H2,43,57)(H2,44,58)(H,48,61)(H,49,60)(H,50,59)(H,51,65)(H,52,62)(H,53,63)(H,54,64)(H4,45,46,47)/t22-,24-,25-,26-,27-,28+,34-/m0/s1
chemicalCompound:standardIn...
AHPJHINJSVAOQZ-BITIFUIXSA-N
chemicalCompound:canonicalS...
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N
chemicalCompound:molecularF...
C41 H64 N14 O11 S2
chemicalCompound:moleculeId
139847
chemicalCompound:mwFreebase
993.164
chemicalCompound:alogp
-4.44
chemicalCompound:hba
16
chemicalCompound:hbd
12
chemicalCompound:psa
468.27
chemicalCompound:rtb
20
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.71
chemicalCompound:acdLogP
-2.633
chemicalCompound:acdLogD
-4.632
chemicalCompound:molecularS...
chemicalCompound:fullMwt
993.164
chemicalCompound:acdMostBpk...
13.524
chemicalCompound:chemblId
CHEMBL87636
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