General Information of the Compound
| Compound ID |
CP0547612
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772323, 246
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N4O4
|
||||||||||||||||||
| Molecular Weight |
476.577
|
||||||||||||||||||
| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2C[C@H](C)O[C@H](C)C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N4O4/c1-4-19-14-25(32)29-30-26(19)21-7-10-23-24(13-21)35-27(28-23)20-5-8-22(9-6-20)33-12-11-31-15-17(2)34-18(3)16-31/h5-10,13,17-19H,4,11-12,14-16H2,1-3H3,(H,29,32)/t17-,18+,19?
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBXGTSSSPDIPDN-DFNIBXOVSA-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