General Information of the Compound
| Compound ID |
CP0012835
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9777008, Compound 270
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37N5O3
|
||||||||||||||||||
| Molecular Weight |
539.68
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)C(=O)Cn1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37N5O3/c1-34-13-15-36(16-14-34)32(39)21-37-23-33-30-10-9-26(18-31(30)37)25-7-4-8-29(17-25)40-22-28(38)20-35-12-11-24-5-2-3-6-27(24)19-35/h2-10,17-18,23,28,38H,11-16,19-22H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PSLYDRGXSDSLBB-UHFFFAOYSA-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