General Information of the Compound
| Compound ID |
CP0959625
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(2,6-difluorobenzoyl)-3-(2-propynyl)-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H21F5N4O2
|
||||||||||||||||||
| Molecular Weight |
516.47
|
||||||||||||||||||
| Canonical SMILES |
C#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1c(F)cccc1F)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21F5N4O2/c1-3-12-35-23(36)18-14-34(24(37)22-19(27)5-4-6-20(22)28)13-11-21(18)33-25(35)32-15(2)16-7-9-17(10-8-16)26(29,30)31/h1,4-10,15H,11-14H2,2H3,(H,32,33)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGNQAKAKTCJBKU-HNNXBMFYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound