General Information of the Compound
| Compound ID |
CP0045401
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-8,11-dibenzyl-7,10,13-trioxo-1,3-dithia-6,9,12-triazacyclopentadecane-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H40N6O6S2
|
||||||||||||||||||
| Molecular Weight |
692.864
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H40N6O6S2/c35-25(15-23-11-13-24(41)14-12-23)31(43)40-29-19-48-20-47-18-28(30(36)42)39-33(45)27(17-22-9-5-2-6-10-22)37-32(44)26(38-34(29)46)16-21-7-3-1-4-8-21/h1-14,25-29,41H,15-20,35H2,(H2,36,42)(H,37,44)(H,38,46)(H,39,45)(H,40,43)/t25-,26-,27-,28-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZEWGAHUIUQCHU-MYHRABSESA-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