General Information of the Compound
| Compound ID |
CP0170097
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-2-naphthamido)-4-methylpentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26ClN3O4
|
||||||||||||||||||
| Molecular Weight |
467.953
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cccc1Cl)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26ClN3O4/c1-14(2)11-21(24(31)32)27-23(30)18-12-16-8-4-5-9-17(16)13-20(18)28-25(33)29-22-15(3)7-6-10-19(22)26/h4-10,12-14,21H,11H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CHIWWGFDYPXKRG-NRFANRHFSA-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