General Information of the Compound
| Compound ID |
CP0553595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,8S,11S)-11-amino-N-[[2-(2-amino-2-oxoethyl)phenyl]methyl]-8-[(4-fluorophenyl)methyl]-6,10-dioxo-1,2-dithia-5,9-diazacyclotridecane-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C26H32FN5O4S2
|
||||||||||||||||||
| Molecular Weight |
561.705
|
||||||||||||||||||
| Canonical SMILES |
N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(F)cc2)NC1=O)C(=O)NCc1ccccc1CC(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32FN5O4S2/c27-19-7-5-16(6-8-19)11-20-13-24(34)32-22(15-38-37-10-9-21(28)25(35)31-20)26(36)30-14-18-4-2-1-3-17(18)12-23(29)33/h1-8,20-22H,9-15,28H2,(H2,29,33)(H,30,36)(H,31,35)(H,32,34)/t20-,21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GJJTWAFBWKFYRF-FKBYEOEOSA-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 | |||||||||||||||||||
| 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