General Information of the Compound
| Compound ID |
CP0431889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[1-(7-chloroquinolin-4-yl)-2-(2,6-dichlorophenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21Cl3N4O3
|
||||||||||||||||||
| Molecular Weight |
531.827
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cn(c(n1)-c1c(Cl)cccc1Cl)-c1ccnc2cc(Cl)ccc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21Cl3N4O3/c1-13(2)10-19(25(34)35)31-24(33)20-12-32(23(30-20)22-16(27)4-3-5-17(22)28)21-8-9-29-18-11-14(26)6-7-15(18)21/h3-9,11-13,19H,10H2,1-2H3,(H,31,33)(H,34,35)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLVIIIJHZFIVFM-IBGZPJMESA-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