General Information of the Compound
Compound ID |
CP0893997
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
3-((5S,8R,11R)-11-benzyl-6,9,12-trioxo-5-propyl-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecin-8-yl)propanoic acid
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C30H40N4O6
|
||||||||||||||||||
Molecular Weight |
552.672
|
||||||||||||||||||
Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(=O)O)NC1=O
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C30H40N4O6/c1-2-9-23-29(38)33-24(15-16-27(35)36)30(39)34-25(20-21-10-4-3-5-11-21)28(37)32-17-8-13-22-12-6-7-14-26(22)40-19-18-31-23/h3-7,10-12,14,23-25,31H,2,8-9,13,15-20H2,1H3,(H,32,37)(H,33,38)(H,34,39)(H,35,36)/t23-,24+,25+/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
RQHAZYGRGQPNHH-ISJGIBHGSA-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