General Information of the Compound
| Compound ID |
CP0477414
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10077266, Example 38
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29F4N5O2
|
||||||||||||||||||
| Molecular Weight |
507.532
|
||||||||||||||||||
| Canonical SMILES |
CC1N(CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NCC(F)F)nc12)C(=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29F4N5O2/c1-14-22-19(8-11-34(14)25(35)15-2-3-15)31-24(23(32-22)30-13-21(28)29)33-9-6-17(7-10-33)36-20-5-4-16(26)12-18(20)27/h4-5,12,14-15,17,21H,2-3,6-11,13H2,1H3,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJBZTVUXYAULIV-UHFFFAOYSA-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