Linked Life Data

560708

Source:http://linkedlifedata.com/resource/chembl/compound/560708

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C49H63N5O7.2C4H6O6/c1-8-14-40(56)50-29-49(58)43-47(19-22-54-20-13-18-46(10-3,42(47)54)44(49)61-30(4)55)35-24-36(39(59-6)25-38(35)52(43)5)48(45(57)60-7)26-32-23-31(9-2)27-53(28-32)21-17-34-33-15-11-12-16-37(33)51-41(34)48;2*5-1(3(7)8)2(6)4(9)10/h11-13,15-16,18,23-25,32,42-44,51,58H,8-10,14,17,19-22,26-29H2,1-7H3,(H,50,56);2*1-2,5-6H,(H,7,8)(H,9,10)/t32-,42-,43+,44+,46+,47+,48-,49-;;/m0../s1
chemicalCompound:standardIn...
CMLWNIUWZCZVRT-QRZMVNBNSA-N
chemicalCompound:canonicalS...
CCCC(=O)NC[C@]1(O)[C@@H](OC(=O)C)[C@@]2(CC)C=CCN3CC[C@]4([C@@H]1N(C)c5cc(OC)c(cc45)[C@]6(C[C@@H]7CN(CCc8c6[nH]c9ccccc89)CC(=C7)CC)C(=O)OC)[C@@H]23.OC(C(O)C(=O)O)C(=O)O.OC(C(O)C(=O)O)C(=O)O
chemicalCompound:molecularF...
C57H75N5O19
chemicalCompound:moleculeId
560708
chemicalCompound:mwFreebase
834.054
chemicalCompound:alogp
6.113
chemicalCompound:hba
10
chemicalCompound:hbd
3
chemicalCompound:psa
136.67
chemicalCompound:rtb
12
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.85
chemicalCompound:acdLogP
8.096
chemicalCompound:acdLogD
7.704
chemicalCompound:molecularS...
chemicalCompound:fullMwt
1134.23
chemicalCompound:acdMostBpk...
7.524
chemicalCompound:chemblId
CHEMBL563785
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