General Information of the Compound
| Compound ID |
CP0005372
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2S)-1-(5-acetyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-5-chloro-3-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19ClFN7O2
|
||||||||||||||||||
| Molecular Weight |
491.914
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1c[nH]c2ncnc(N3CCC[C@H]3c3nn4ccc(Cl)c4c(=O)n3-c3cccc(F)c3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19ClFN7O2/c1-13(34)16-11-27-21-19(16)23(29-12-28-21)31-8-3-6-18(31)22-30-32-9-7-17(25)20(32)24(35)33(22)15-5-2-4-14(26)10-15/h2,4-5,7,9-12,18H,3,6,8H2,1H3,(H,27,28,29)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RYEBSTXQSOCRQB-SFHVURJKSA-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