General Information of the Compound
| Compound ID |
CP0498708
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 6-chloro-4-[[5-[2-(4-chlorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]-3-oxo-1,4-benzoxazine-8-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21Cl2F3N4O4
|
||||||||||||||||||
| Molecular Weight |
557.356
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cc(Cl)cc2N(Cc3nnc(CCc4ccc(Cl)cc4)n3CCC(F)(F)F)C(=O)COc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21Cl2F3N4O4/c1-36-23(35)17-10-16(26)11-18-22(17)37-13-21(34)33(18)12-20-31-30-19(32(20)9-8-24(27,28)29)7-4-14-2-5-15(25)6-3-14/h2-3,5-6,10-11H,4,7-9,12-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZBHGWRSDGWTIE-UHFFFAOYSA-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