|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
|
|
chemicalCompound:standardIn... |
SJDOMIRMMUGQQK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccccc1N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2
|
|
chemicalCompound:molecularF... |
C23H27N3O3
|
|
chemicalCompound:moleculeId |
4181
|
|
chemicalCompound:mwFreebase |
393.479
|
|
chemicalCompound:alogp |
3.256
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
53.09
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.138
|
|
chemicalCompound:acdLogD |
2.703
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
393.479
|
|
chemicalCompound:acdMostBpk... |
7.889
|
|
chemicalCompound:chemblId |
CHEMBL8618
|
|
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:prefName |
NAN-190
|
|
chemicalCompound:activity |
activity:50837,
activity:50838,
activity:60997,
activity:60998,
activity:60999,
activity:61000,
activity:61001,
activity:61002,
activity:61003,
activity:61004,
activity:61005,
activity:61006,
activity:61007,
activity:61008,
activity:61009,
activity:61010,
activity:176319,
activity:176320,
activity:358470,
activity:358471,
activity:388431,
activity:388432,
activity:388433,
activity:388434,
activity:444347,
activity:482532,
activity:488232,
activity:488233,
activity:509052,
activity:509053,
activity:509054,
activity:509055,
activity:509056,
activity:509057,
activity:509058,
activity:509059,
activity:509060,
activity:509061,
activity:509062,
activity:509063,
activity:509064,
activity:509065,
activity:509066,
activity:509067,
activity:509068,
activity:509069,
activity:509070,
activity:509071,
activity:509072,
activity:509073,
activity:509074,
activity:509075,
activity:509076,
activity:509077,
activity:606780,
activity:606781,
activity:610898,
activity:610899,
activity:610900,
activity:673514,
activity:673515,
activity:673516,
activity:841339,
activity:869755,
activity:965687
|
