General Information of the Compound
| Compound ID |
CP0860222
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((4S,7S,10S,13S)-4,10-dibenzyl-7-(2-carboxyethyl)-14-(4-hydroxyphenyl)-3,6,9,12-tetraoxo-2,5,8,11-tetraazatetradecan-13-ylcarbamoyl)cyclobutanecarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H45N5O10
|
||||||||||||||||||
| Molecular Weight |
743.814
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCC1C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H45N5O10/c1-40-35(49)30(20-23-8-4-2-5-9-23)43-36(50)29(18-19-33(46)47)41-37(51)32(21-24-10-6-3-7-11-24)44-38(52)31(22-25-12-14-26(45)15-13-25)42-34(48)27-16-17-28(27)39(53)54/h2-15,27-32,45H,16-22H2,1H3,(H,40,49)(H,41,51)(H,42,48)(H,43,50)(H,44,52)(H,46,47)(H,53,54)/t27?,28?,29-,30-,31-,32-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSKLWDMRNBHFKX-YSXDQLAKSA-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