General Information of the Compound
| Compound ID |
CP0398139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,10-dioxo-N-(pyridin-3-ylmethyl)-1,2-dithia-5,9-diazacyclotridecane-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N5O4S2
|
||||||||||||||||||
| Molecular Weight |
503.65
|
||||||||||||||||||
| Canonical SMILES |
N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N5O4S2/c24-19-7-9-33-34-14-20(23(32)26-13-16-2-1-8-25-12-16)28-21(30)11-17(27-22(19)31)10-15-3-5-18(29)6-4-15/h1-6,8,12,17,19-20,29H,7,9-11,13-14,24H2,(H,26,32)(H,27,31)(H,28,30)/t17-,19-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SNCYCTKIOIXNDQ-IHPCNDPISA-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
Protein ID: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase