General Information of the Compound
| Compound ID |
CP0534304
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
11-fluoro-3-(1-phenylcyclopropanecarbonyl)-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one
Show/Hide
|
||||||||||||||||||
| Formula |
C22H17FN4O2
|
||||||||||||||||||
| Molecular Weight |
388.402
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc2[nH]c3CN(Cc4n[nH]c(=O)c(c1)c2c34)C(=O)C1(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17FN4O2/c23-13-8-14-18-15(9-13)24-16-10-27(11-17(19(16)18)25-26-20(14)28)21(29)22(6-7-22)12-4-2-1-3-5-12/h1-5,8-9,24H,6-7,10-11H2,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SSHFBIALDVUJEM-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 | |||||||||||||||||||
| 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