General Information of the Compound
| Compound ID |
CP0962458
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-2,3-dihydro-imidazo[4,5-b]pyridin-1-yl)-piperidin-1-yl]-ethyl}-1,9-bis-(2,2,2-trifluoro-ethyl)-1,3,6,7,9,10-hexahydro-1,3,9-triaza-cyclohepta[e]indene-2,8-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C28H26ClF6N7O4
|
||||||||||||||||||
| Molecular Weight |
674.002
|
||||||||||||||||||
| Canonical SMILES |
O=C(C[C@@H]1Cc2cc(Cl)c3[nH]c(=O)n(CC(F)(F)F)c3c2CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26ClF6N7O4/c29-18-9-14-8-15(10-20(43)39-6-3-16(4-7-39)42-19-2-1-5-36-23(19)38-26(42)46)24(44)40(12-27(30,31)32)11-17(14)22-21(18)37-25(45)41(22)13-28(33,34)35/h1-2,5,9,15-16H,3-4,6-8,10-13H2,(H,37,45)(H,36,38,46)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBZBTVHQXALNAJ-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 | |||||||||||||||||||
| 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