Linked Life Data

1154427

Source:http://linkedlifedata.com/resource/chembl/compound/1154427

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C44H66N6O7S/c1-5-28(4)37(43(55)46-25-30-18-13-14-22-45-30)49-42(54)36(27(2)3)40(52)39(51)32(24-29-16-8-6-9-17-29)47-41(53)31-19-11-12-20-34(31)57-23-15-7-10-21-35-38-33(26-58-35)48-44(56)50-38/h11-14,18-20,22,27-29,32-33,35-40,51-52H,5-10,15-17,21,23-26H2,1-4H3,(H,46,55)(H,47,53)(H,49,54)(H2,48,50,56)/t28-,32+,33-,35+,36-,37+,38-,39-,40-/m1/s1
chemicalCompound:standardIn...
NYAYTMADCGOYLI-OUFUXOMRSA-N
chemicalCompound:canonicalS...
CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c2ccccc2OCCCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]34)C(=O)NCc5ccccn5
chemicalCompound:molecularF...
C44H66N6O7S
chemicalCompound:moleculeId
1154427
chemicalCompound:mwFreebase
823.096
chemicalCompound:alogp
5.656
chemicalCompound:hba
9
chemicalCompound:hbd
7
chemicalCompound:psa
216.3
chemicalCompound:rtb
22
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
3
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.571
chemicalCompound:acdLogP
7.267
chemicalCompound:acdLogD
7.265
chemicalCompound:molecularS...
chemicalCompound:fullMwt
823.096
chemicalCompound:acdMostBpk...
4.347
chemicalCompound:chemblId
CHEMBL1790796
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