General Information of the Compound
| Compound ID |
CP0457556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(3S,6R,11R,14S,17S)-6-amino-3-(4-aminobutyl)-14-[(4-hydroxyphenyl)methyl]-2,5,13,16-tetraoxo-1,4,12,15-tetrazabicyclo[15.3.0]icos-8-ene-11-carbonyl]amino]-4-methylpentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H51N7O8
|
||||||||||||||||||
| Molecular Weight |
685.823
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H]1CC=CC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H51N7O8/c1-20(2)18-27(34(48)49)40-30(44)24-9-4-3-8-23(36)29(43)38-25(10-5-6-16-35)33(47)41-17-7-11-28(41)32(46)39-26(31(45)37-24)19-21-12-14-22(42)15-13-21/h3-4,12-15,20,23-28,42H,5-11,16-19,35-36H2,1-2H3,(H,37,45)(H,38,43)(H,39,46)(H,40,44)(H,48,49)/t23-,24-,25+,26+,27+,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABHGQJQISKJOJR-WEHOJLIUSA-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