General Information of the Compound
| Compound ID |
CP0549628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 216
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25ClF5N7O3
|
||||||||||||||||||
| Molecular Weight |
650.008
|
||||||||||||||||||
| Canonical SMILES |
CC(F)(F)Oc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25ClF5N7O3/c1-28(31,32)45-19-10-14(27(44)39-21-11-16(8-9-37-21)29(33,34)35)3-6-18(19)23-24-25(36)38-12-20(30)42(24)26(40-23)15-2-4-17-5-7-22(43)41(17)13-15/h3,6,8-12,15,17H,2,4-5,7,13H2,1H3,(H2,36,38)(H,37,39,44)/t15-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCDQXNWALDPPNN-WBVHZDCISA-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