|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H23N5O2.ClH/c1-21(2)11-7-10-19-15-12-8-5-6-9-13(12)22(3)16-14(15)17(24)23(4)18(25)20-16;/h5-6,8-9,19H,7,10-11H2,1-4H3;1H
|
|
chemicalCompound:standardIn... |
YFRZLDACVWCITO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CN(C)CCCNC1=C2C(=O)N(C)C(=O)N=C2N(C)c3ccccc13
|
|
chemicalCompound:molecularF... |
C18H24ClN5O2
|
|
chemicalCompound:moleculeId |
1309869
|
|
chemicalCompound:mwFreebase |
341.408
|
|
chemicalCompound:alogp |
0.719
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
68.25
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
0.792
|
|
chemicalCompound:acdLogD |
-1.351
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
377.868
|
|
chemicalCompound:acdMostBpk... |
9.542
|
|
chemicalCompound:chemblId |
CHEMBL1988578
|
|
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:8252347,
activity:8258516,
activity:8308137,
activity:8323284,
activity:8409105,
activity:8429197,
activity:8444444,
activity:8486566,
activity:8513233,
activity:8528780,
activity:8605409,
activity:8666077,
activity:8686372,
activity:8777046,
activity:8783836,
activity:8813780,
activity:8857124,
activity:8912321,
activity:8937147,
activity:8979948,
activity:9075135,
activity:9080801,
activity:9103749,
activity:9106016,
activity:9197211,
activity:9226072,
activity:9241113,
activity:9298753,
activity:9315426,
activity:9375356,
activity:9447938,
activity:9459006,
activity:9525889,
activity:9632583,
activity:9720715,
activity:9800364,
activity:9871717,
activity:9900689,
activity:9934387,
activity:9972227,
activity:10033357,
activity:10044641,
activity:10089420,
activity:10157372,
activity:10181014,
activity:10192605,
activity:10221737,
activity:10265447,
activity:10280887,
activity:10377202,
activity:10402347,
activity:10450882,
activity:10502738,
activity:10599710,
activity:10611168,
activity:10626042,
activity:10709021,
activity:10729121,
activity:10801833
|
