General Information of the Compound
| Compound ID |
CP0488856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9193736, 164
Show/Hide
|
||||||||||||||||||
| Formula |
C30H27N5O3
|
||||||||||||||||||
| Molecular Weight |
505.578
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1c(nc2c(ccnn12)N1CCOCC1)[C@H]1C[C@@H](C1)c1ccc2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27N5O3/c36-30(37)21-7-5-20(6-8-21)28-27(33-29-26(11-12-31-35(28)29)34-13-15-38-16-14-34)23-17-22(18-23)25-10-9-19-3-1-2-4-24(19)32-25/h1-12,22-23H,13-18H2,(H,36,37)/t22-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSUUMROSMDGSIF-YHBQERECSA-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 | |||||||||||||||||||
| 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