Linked Life Data

964303

Source:http://linkedlifedata.com/resource/chembl/compound/964303

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C46H80N18O5.ClH/c1-6-25-67-27-29-69-30-28-68-26-16-51-44-52-45(61-21-17-59(18-22-61)42(65)39(12-8-10-14-47)63-32-37(55-57-63)36(49)31-34(3)4)54-46(53-44)62-23-19-60(20-24-62)43(66)40(13-9-11-15-48)64-33-38(56-58-64)41(50)35(5)7-2;/h1,32-36,39-41H,7-31,47-50H2,2-5H3,(H,51,52,53,54);1H/t35?,36-,39-,40-,41-;/m0./s1
chemicalCompound:standardIn...
IBHHECFJQLUOTH-BTOLYUENSA-N
chemicalCompound:canonicalS...
Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N2CCN(CC2)c3nc(NCCOCCOCCOCC#C)nc(n3)N4CCN(CC4)C(=O)[C@H](CCCCN)n5cc(nn5)[C@@H](N)CC(C)C
chemicalCompound:molecularF...
C46H81ClN18O5
chemicalCompound:moleculeId
964303
chemicalCompound:mwFreebase
965.245
chemicalCompound:alogp
1.511
chemicalCompound:hba
19
chemicalCompound:hbd
5
chemicalCompound:psa
290.98
chemicalCompound:rtb
31
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.454
chemicalCompound:acdLogD
-3.572
chemicalCompound:molecularS...
chemicalCompound:fullMwt
1001.71
chemicalCompound:acdMostBpk...
10.442
chemicalCompound:chemblId
CHEMBL1540419
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