General Information of the Compound
| Compound ID |
CP0415537
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2S,5S,8S,11S,14S,17R)-2,8-bis(4-aminobutyl)-11-[3-(diaminomethylideneamino)propyl]-17-(hydroxymethyl)-14-(3-methylbutyl)-3,6,9,12,15,19-hexaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H61N11O9
|
||||||||||||||||||
| Molecular Weight |
755.919
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CC[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](CO)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H61N11O9/c1-19(2)11-12-24-28(49)39-20(18-45)16-26(46)40-21(8-3-5-13-34)29(50)44-25(17-27(47)48)32(53)42-22(9-4-6-14-35)30(51)41-23(31(52)43-24)10-7-15-38-33(36)37/h19-25,45H,3-18,34-35H2,1-2H3,(H,39,49)(H,40,46)(H,41,51)(H,42,53)(H,43,52)(H,44,50)(H,47,48)(H4,36,37,38)/t20-,21+,22+,23+,24+,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBAKVIYGHSOGRY-RFXJPFPRSA-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