General Information of the Compound
| Compound ID |
CP0966617
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID144194181
Show/Hide
|
||||||||||||||||||
| Formula |
C24H21F2N3O
|
||||||||||||||||||
| Molecular Weight |
405.448
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc(F)cc1)N1C[C@@H]2N[C@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21F2N3O/c25-17-9-11-18(12-10-17)27-24(30)29-13-21-23(22(14-29)28-21)16-7-5-15(6-8-16)19-3-1-2-4-20(19)26/h1-12,21-23,28H,13-14H2,(H,27,30)/t21-,22+,23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEODWUKPPFZFMB-JKHIJQBDSA-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