General Information of the Compound
| Compound ID |
CP0431009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{4-[(2,4-Dichloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-pentanedioic acid ; hydrate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20Cl2FN3O5
|
||||||||||||||||||
| Molecular Weight |
532.355
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)c1ccc(cc1F)N(CC#C)Cc1ccc2nc(Cl)cc(Cl)c2c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20Cl2FN3O5/c1-2-9-31(13-14-3-6-20-17(10-14)18(26)12-22(27)29-20)15-4-5-16(19(28)11-15)24(34)30-21(25(35)36)7-8-23(32)33/h1,3-6,10-12,21H,7-9,13H2,(H,30,34)(H,32,33)(H,35,36)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CPQYZNBTFDOYBS-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