General Information of the Compound
| Compound ID |
CP0386318
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2S,5S,8S,11S,14S)-2,8-bis(4-aminobutyl)-11-[3-(carbamoylamino)propyl]-14-(2-methylpropyl)-3,6,9,12,15,19-hexaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H56N10O9
|
||||||||||||||||||
| Molecular Weight |
712.85
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CCNC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H56N10O9/c1-18(2)16-22-26(45)35-15-11-24(42)37-19(8-3-5-12-32)27(46)41-23(17-25(43)44)30(49)39-20(9-4-6-13-33)28(47)38-21(29(48)40-22)10-7-14-36-31(34)50/h18-23H,3-17,32-33H2,1-2H3,(H,35,45)(H,37,42)(H,38,47)(H,39,49)(H,40,48)(H,41,46)(H,43,44)(H3,34,36,50)/t19-,20-,21-,22-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJQNNLICZLLPMB-VUBDRERZSA-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