General Information of the Compound
| Compound ID |
CP0493001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 206
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27F6N7O3
|
||||||||||||||||||
| Molecular Weight |
647.58
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(cnc(N)c12)C(F)(F)F)C(=O)Nc1cc(ccn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27F6N7O3/c1-2-46-20-11-15(28(45)40-22-12-17(9-10-38-22)29(31,32)33)4-7-19(20)24-25-26(37)39-13-21(30(34,35)36)43(25)27(41-24)16-3-5-18-6-8-23(44)42(18)14-16/h4,7,9-13,16,18H,2-3,5-6,8,14H2,1H3,(H2,37,39)(H,38,40,45)/t16-,18+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PEKQFSVRIRLVKT-AEFFLSMTSA-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