General Information of the Compound
| Compound ID |
CP0461133
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(pyrimidin-4-ylamino)-N-(7-trifluoromethyl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-yl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H16F3N5O2S
|
||||||||||||||||||
| Molecular Weight |
483.475
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc2-c3nc(NC(=O)c4ccc(Nc5ccncn5)cc4)sc3CCOc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16F3N5O2S/c24-23(25,26)16-3-1-2-15-19-17(9-11-33-20(15)16)34-22(30-19)31-21(32)13-4-6-14(7-5-13)29-18-8-10-27-12-28-18/h1-8,10,12H,9,11H2,(H,27,28,29)(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCOHHLPXBXNCIJ-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