General Information of the Compound
| Compound ID |
CP0567656
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,5S,8S,11S,14S,17S)-2,8-bis(4-aminobutyl)-5-(carboxymethyl)-11-[3-(diaminomethylideneamino)propyl]-14-(2-methylpropyl)-3,6,9,12,15,19-hexaoxo-1,4,7,10,13,16-hexazacyclononadecane-17-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H57N11O10
|
||||||||||||||||||
| Molecular Weight |
755.875
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)C[C@H](NC1=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H57N11O10/c1-17(2)14-21-29(50)43-23(31(52)53)15-24(44)38-18(8-3-5-11-33)26(47)42-22(16-25(45)46)30(51)40-19(9-4-6-12-34)27(48)39-20(28(49)41-21)10-7-13-37-32(35)36/h17-23H,3-16,33-34H2,1-2H3,(H,38,44)(H,39,48)(H,40,51)(H,41,49)(H,42,47)(H,43,50)(H,45,46)(H,52,53)(H4,35,36,37)/t18-,19-,20-,21-,22-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMCZEQSSLYSQHT-LLINQDLYSA-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