|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H17ClN2O/c23-17-11-13-18(14-12-17)24-20-15-21(26)25(19-9-5-2-6-10-19)22(20)16-7-3-1-4-8-16/h1-14,22H,15H2/b24-20-
|
|
chemicalCompound:standardIn... |
FBCJWMNOBKLUDV-GFMRDNFCSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1)\N=C/2\CC(=O)N(C2c3ccccc3)c4ccccc4
|
|
chemicalCompound:molecularF... |
C22H17ClN2O
|
|
chemicalCompound:moleculeId |
1286655
|
|
chemicalCompound:mwFreebase |
360.836
|
|
chemicalCompound:alogp |
4.973
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
32.67
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.527
|
|
chemicalCompound:acdLogD |
4.527
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
360.836
|
|
chemicalCompound:acdMostBpk... |
2.596
|
|
chemicalCompound:chemblId |
CHEMBL1965364
|
|
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 |
activity:8265485,
activity:8285061,
activity:8334981,
activity:8354448,
activity:8393737,
activity:8435221,
activity:8455626,
activity:8475368,
activity:8544466,
activity:8560112,
activity:8636710,
activity:8692474,
activity:8721366,
activity:8736775,
activity:8739319,
activity:8829777,
activity:8840768,
activity:8871826,
activity:8955816,
activity:9047974,
activity:9136679,
activity:9138972,
activity:9224122,
activity:9256529,
activity:9271851,
activity:9325263,
activity:9332881,
activity:9405996,
activity:9478153,
activity:9489316,
activity:9567173,
activity:9658038,
activity:9745218,
activity:9751285,
activity:9856642,
activity:9898054,
activity:9928236,
activity:9960772,
activity:10002617,
activity:10018095,
activity:10050519,
activity:10130762,
activity:10141219,
activity:10214575,
activity:10252415,
activity:10291438,
activity:10319968,
activity:10333470,
activity:10408269,
activity:10449082,
activity:10533165,
activity:10637066,
activity:10656148,
activity:10689373,
activity:10744047,
activity:10762416
|
