Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:synonym
chemicalCompound:standardIn...
InChI=1S/C27H29IN2.C2H2O4/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21;3-1(4)2(5)6/h1-14,22,25-27,29H,15-19H2;(H,3,4)(H,5,6)/t26-,27-;/m1./s1
chemicalCompound:standardIn...
VHLWXEPQCNQPNC-CNZCJKERSA-N
chemicalCompound:canonicalS...
OC(=O)C(=O)O.Ic1ccccc1CN[C@@H]2C3CCN(CC3)[C@@H]2C(c4ccccc4)c5ccccc5
chemicalCompound:molecularF...
C29H31IN2O4
chemicalCompound:moleculeId
705747
chemicalCompound:mwFreebase
508.437
chemicalCompound:alogp
5.767
chemicalCompound:hba
2
chemicalCompound:hbd
1
chemicalCompound:psa
15.27
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
7.49
chemicalCompound:acdLogD
4.973
chemicalCompound:molecularS...
chemicalCompound:fullMwt
598.472
chemicalCompound:acdMostBpk...
9.939
chemicalCompound:chemblId
CHEMBL1256755
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