General Information of the Compound
| Compound ID |
CP0384044
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 188
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27F3N8O3
|
||||||||||||||||||
| Molecular Weight |
568.56
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27F3N8O3/c1-36-19(27(28,29)30)12-20(35-36)33-26(40)14-4-7-17(18(11-14)41-2)22-23-24(31)32-9-10-37(23)25(34-22)15-3-5-16-6-8-21(39)38(16)13-15/h4,7,9-12,15-16H,3,5-6,8,13H2,1-2H3,(H2,31,32)(H,33,35,40)/t15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UNAMIHHXNCVCSF-CVEARBPZSA-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