General Information of the Compound
| Compound ID |
CP0552176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3-yl)-6-(4-(trifluoromethyl)phenyl)phthalazin-1(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22F3N5O
|
||||||||||||||||||
| Molecular Weight |
465.479
|
||||||||||||||||||
| Canonical SMILES |
CN[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22F3N5O/c1-29-20-10-11-32(15-20)23-9-7-21(14-30-23)33-24(34)22-8-4-17(12-18(22)13-31-33)16-2-5-19(6-3-16)25(26,27)28/h2-9,12-14,20,29H,10-11,15H2,1H3/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGXAHOUGRSJGEA-FQEVSTJZSA-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