General Information of the Compound
| Compound ID |
CP0550764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3S,4R)-3-fluoro-4-(1-methylindazol-5-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22FN5O2
|
||||||||||||||||||
| Molecular Weight |
395.438
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2C(=O)NCc2nc1N1CC[C@@H](Oc2ccc3n(C)ncc3c2)[C@@H](F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22FN5O2/c1-12-7-15-17(10-23-21(15)28)25-20(12)27-6-5-19(16(22)11-27)29-14-3-4-18-13(8-14)9-24-26(18)2/h3-4,7-9,16,19H,5-6,10-11H2,1-2H3,(H,23,28)/t16-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NESYBDNWKKLCGP-QFBILLFUSA-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