General Information of the Compound
| Compound ID |
CP0423011
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium;2-[2-[5-[[2-[2-[3-chloro-4-[[2-methoxy-4-(pyridine-2-carbonylamino)phenyl]carbamoyl]anilino]-2-oxoethoxy]acetyl]amino]pentylamino]-2-oxoethoxy]-5-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoate
Show/Hide
|
||||||||||||||||||
| Formula |
C61H62ClN6NaO12
|
||||||||||||||||||
| Molecular Weight |
1129.64
|
||||||||||||||||||
| Canonical SMILES |
[Na+].COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(NC(=O)COCC(=O)NCCCCCNC(=O)COc2ccc(cc2C([O-])=O)-c2cccc(COc3cc4CC(C5CCCC5)C(=O)c4c(C)c3C)c2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C61H63ClN6O12.Na/c1-36-37(2)57-42(28-46(58(57)72)39-13-5-6-14-39)29-52(36)79-32-38-12-11-15-40(26-38)41-17-22-51(47(27-41)61(75)76)80-35-55(70)65-25-9-4-8-24-64-54(69)33-78-34-56(71)66-43-18-20-45(48(62)30-43)59(73)68-49-21-19-44(31-53(49)77-3)67-60(74)50-16-7-10-23-63-50;/h7,10-12,15-23,26-27,29-31,39,46H,4-6,8-9,13-14,24-25,28,32-35H2,1-3H3,(H,64,69)(H,65,70)(H,66,71)(H,67,74)(H,68,73)(H,75,76);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DROPZJHGDMUHCL-UHFFFAOYSA-M
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| 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
Protein ID: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT02446, Metabotropic glutamate receptor 4