General Information of the Compound
| Compound ID |
CP0565315
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,8S,11S,14S,17S)-11-[(2S)-butan-2-yl]-3-[[(2S)-2,6-diaminohexanoyl]amino]-14-[(4-hydroxyphenyl)methyl]-2,10,13,16-tetraoxo-1,9,12,15-tetrazabicyclo[15.3.0]icos-5-ene-8-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H51N7O8
|
||||||||||||||||||
| Molecular Weight |
685.823
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC=CC[C@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)CCCCN
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H51N7O8/c1-3-20(2)28-32(46)38-25(34(48)49)11-5-4-10-24(37-29(43)23(36)9-6-7-17-35)33(47)41-18-8-12-27(41)31(45)39-26(30(44)40-28)19-21-13-15-22(42)16-14-21/h4-5,13-16,20,23-28,42H,3,6-12,17-19,35-36H2,1-2H3,(H,37,43)(H,38,46)(H,39,45)(H,40,44)(H,48,49)/t20-,23-,24-,25-,26-,27-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BFWZQFFFGCRXTK-AUUFLVQBSA-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