Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C45H57N9O9S/c1-26(55)38-44(61)53-37(45(62)63)25-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31-,33-,34-,35+,36-,37+,38+/m1/s1
chemicalCompound:standardIn...
GCLWZDVCIUHXSH-JOXPAQKRSA-N
chemicalCompound:canonicalS...
C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CSC[C@H](NC1=O)C(=O)O)NC(=O)[C@H](N)Cc5ccccc5
chemicalCompound:molecularF...
C45 H57 N9 O9 S
chemicalCompound:moleculeId
115115
chemicalCompound:mwFreebase
900.054
chemicalCompound:alogp
-1.791
chemicalCompound:hba
12
chemicalCompound:hbd
11
chemicalCompound:psa
325.25
chemicalCompound:rtb
14
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
3.004
chemicalCompound:acdLogP
3.716
chemicalCompound:acdLogD
1.131
chemicalCompound:molecularS...
chemicalCompound:fullMwt
900.054
chemicalCompound:acdMostBpk...
10.428
chemicalCompound:chemblId
CHEMBL69379
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