General Information of the Compound
| Compound ID |
CP0559272
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 97
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N7O3
|
||||||||||||||||||
| Molecular Weight |
511.586
|
||||||||||||||||||
| Canonical SMILES |
CC(O)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N7O3/c1-16(36)19-10-11-30-22(14-19)32-28(38)18-4-2-17(3-5-18)24-25-26(29)31-12-13-34(25)27(33-24)20-6-7-21-8-9-23(37)35(21)15-20/h2-5,10-14,16,20-21,36H,6-9,15H2,1H3,(H2,29,31)(H,30,32,38)/t16?,20-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNAFOGLESPZAKO-XHEPWMPHSA-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