General Information of the Compound
| Compound ID |
CP0554031
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(3S,6S)-3-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-14-hydroxy-4-oxo-8-oxa-5-azabicyclo[11.3.1]heptadeca-1(17),10,13,15-tetraene-6-carbonyl]amino]-4-methylpentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H50N6O8
|
||||||||||||||||||
| Molecular Weight |
658.797
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1COCC=CCc2cc(C[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCCN)C(=O)N1)ccc2O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H50N6O8/c1-20(2)16-25(33(45)46)37-30(42)26-19-47-15-6-4-8-22-17-21(11-12-28(22)40)18-24(29(41)38-26)36-31(43)27-10-7-14-39(27)32(44)23(35)9-3-5-13-34/h4,6,11-12,17,20,23-27,40H,3,5,7-10,13-16,18-19,34-35H2,1-2H3,(H,36,43)(H,37,42)(H,38,41)(H,45,46)/t23-,24-,25-,26-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKRKFXDQYGITTK-IRGGMKSGSA-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