General Information of the Compound
| Compound ID |
CP0523669
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[[(16E)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-11-yl]oxy]ethyl]piperidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34N4O5
|
||||||||||||||||||
| Molecular Weight |
530.625
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCN(CCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N4O5/c35-29(36)23-9-12-34(13-10-23)14-17-39-28-7-6-26-19-25(28)21-38-16-2-1-15-37-20-22-4-3-5-24(18-22)27-8-11-31-30(32-26)33-27/h1-8,11,18-19,23H,9-10,12-17,20-21H2,(H,35,36)(H,31,32,33)/b2-1+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZDRGJBVJNAMIH-OWOJBTEDSA-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