|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H
|
|
chemicalCompound:standardIn... |
BGLGAKMTYHWWKW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.Cc1cc2cc3cc(C)c(N)cc3nc2cc1N
|
|
chemicalCompound:molecularF... |
C15H16ClN3
|
|
chemicalCompound:moleculeId |
1306744
|
|
chemicalCompound:mwFreebase |
237.3
|
|
chemicalCompound:alogp |
2.832
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
64.92
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.317
|
|
chemicalCompound:acdLogD |
0.19
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
273.761
|
|
chemicalCompound:acdMostBpk... |
9.986
|
|
chemicalCompound:chemblId |
CHEMBL1985453
|
|
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:8240617,
activity:8330098,
activity:8358624,
activity:8404271,
activity:8437677,
activity:8448554,
activity:8495293,
activity:8512945,
activity:8532953,
activity:8591609,
activity:8603067,
activity:8690542,
activity:8776706,
activity:8779219,
activity:8806970,
activity:8809092,
activity:8907642,
activity:8932461,
activity:8975471,
activity:8991293,
activity:9020003,
activity:9105734,
activity:9112439,
activity:9188184,
activity:9217534,
activity:9225620,
activity:9314478,
activity:9325102,
activity:9375142,
activity:9447586,
activity:9458827,
activity:9521665,
activity:9539747,
activity:9689668,
activity:9753954,
activity:9781351,
activity:9895981,
activity:9929833,
activity:9963293,
activity:9987322,
activity:10033030,
activity:10086859,
activity:10170296,
activity:10180830,
activity:10212631,
activity:10254127,
activity:10260937,
activity:10293461,
activity:10372465,
activity:10418128,
activity:10429457,
activity:10484098,
activity:10546464,
activity:10599286,
activity:10606493,
activity:10713081,
activity:10733268,
activity:10779829,
activity:10816713
|
