General Information of the Compound
| Compound ID |
CP0541427
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-amino-4-[5-chloro-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29Cl2N5O3
|
||||||||||||||||||
| Molecular Weight |
566.489
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(Cl)cc1)C(=O)CC(C)(C)C2)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29Cl2N5O3/c1-5-39-28(38)25-24(22-16(2)34-36(26(22)31)18-10-8-17(30)9-11-18)23-20(13-29(3,4)14-21(23)37)35(27(25)32)19-7-6-12-33-15-19/h6-12,15,24H,5,13-14,32H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATIRNCPNUAGBGH-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