General Information of the Compound
| Compound ID |
CP0479245
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(2-fluoro-3-nitrophenyl)-12,14-dimethyl-17-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22FN5O4
|
||||||||||||||||||
| Molecular Weight |
511.513
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(c1)-c1n-2c(C(Nc3ccccc-23)c2cccc(c2F)[N+]([O-])=O)c2n(C)c(=O)n(C)c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22FN5O4/c1-15-8-6-9-16(14-15)24-21-25(31(2)28(36)32(3)27(21)35)26-23(17-10-7-13-20(22(17)29)34(37)38)30-18-11-4-5-12-19(18)33(24)26/h4-14,23,30H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVICZIHMMQVVQK-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