主记录
PF-04691502
- CAS
- 1013101-36-4
- PubChem CID
- 25033539
- SMILES
- CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3CCC(CC3)OCCO)C4=CN=C(C=C4)OC
- 分子式
- C22H27N5O4
- 分子量
- 425.489
- 精确分子量
- 425.2063
- InChI
- InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)
- InChIKey
- XDLYKKIQACFMJG-UHFFFAOYSA-N
- LogP
- 2.2453
- TPSA
- 125.38
名称与别名
- PF-04691502
- 1013101-36-4
- 4tv3
- RefChem:909600
- PF 04691502
- UNII-4W39NS61KI
- D0N5JZ
- 4W39NS61KI
- C22H27N5O4
- CHEMBL1234354
- CHEMBL5278357
- cc-350
- MLS006010979
- MFCD18782794
- GTPL7936
- orb1300936
- SCHEMBL1381425
- SCHEMBL1381431
- SCHEMBL1984896
- PF-4691502
- SCHEMBL10092210
- SCHEMBL29352815
- SCHEMBL29447277
- EX-A032
- QCR-137
- CHEBI:231357
- XDLYKKIQACFMJG-IYBDPMFKSA-N
- XDLYKKIQACFMJG-UHFFFAOYSA-N
- DTXSID901026004
- GLXC-90023