General Information of the Compound
| Compound ID |
CP0573383
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,5R,8R,12S)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C45H55N7O5
|
||||||||||||||||||
| Molecular Weight |
773.979
|
||||||||||||||||||
| Canonical SMILES |
O=C(C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)N1CCC(CC1)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C45H55N7O5/c53-41-27-33(28-42(54)52-22-18-36(19-23-52)51-20-10-3-11-21-51)43(55)47-30-35(24-31-12-4-1-5-13-31)48-44(56)39(25-32-14-6-2-7-15-32)50-45(57)40(49-41)26-34-29-46-38-17-9-8-16-37(34)38/h1-2,4-9,12-17,29,33,35-36,39-40,46H,3,10-11,18-28,30H2,(H,47,55)(H,48,56)(H,49,53)(H,50,57)/t33-,35+,39+,40-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SIIQXVYFUBJCSB-MCRRQDFISA-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