General Information of the Compound
| Compound ID |
CP0419820
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,5S,8R,12R)-12-(4-aminopiperidin-1-yl)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H45N7O4
|
||||||||||||||||||
| Molecular Weight |
663.823
|
||||||||||||||||||
| Canonical SMILES |
NC1CCN(CC1)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H45N7O4/c39-28-15-17-45(18-16-28)34-22-35(46)43-33(21-27-23-40-31-14-8-7-13-30(27)31)37(48)44-32(20-26-11-5-2-6-12-26)36(47)42-29(24-41-38(34)49)19-25-9-3-1-4-10-25/h1-14,23,28-29,32-34,40H,15-22,24,39H2,(H,41,49)(H,42,47)(H,43,46)(H,44,48)/t29-,32+,33+,34-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GEENKHJJSICYPD-ODRDEDCPSA-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