|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
|
|
chemicalCompound:standardIn... |
QORLMYYHZLDYOR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(Cl)ccc23
|
|
chemicalCompound:molecularF... |
C15 H14 Cl N3 O3
|
|
chemicalCompound:moleculeId |
634
|
|
chemicalCompound:mwFreebase |
319.743
|
|
chemicalCompound:alogp |
2.042
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
64.43
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.722
|
|
chemicalCompound:acdLogD |
2.722
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
319.743
|
|
chemicalCompound:acdMostBpk... |
0.704
|
|
chemicalCompound:chemblId |
CHEMBL415290
|
|
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 |
Ro-151310
|
|
chemicalCompound:activity |
activity:42615,
activity:42616,
activity:42617,
activity:42618,
activity:42619,
activity:42620,
activity:176796,
activity:176797,
activity:260214,
activity:260215,
activity:260216,
activity:260217,
activity:264175,
activity:264176,
activity:264177,
activity:593208,
activity:593209,
activity:593210,
activity:593211,
activity:593212,
activity:593213,
activity:676210,
activity:676211,
activity:676212,
activity:3553154,
activity:3553155,
activity:3553156,
activity:3553157,
activity:3553158
|
