General Information of the Compound
| Compound ID |
CP0462802
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H25ClF3NO4
|
||||||||||||||||||
| Molecular Weight |
555.98
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(C(C(C(=O)OCCC(c2ccccc2)c2ccccc2)=C(N1)C(F)(F)F)c1cccc(Cl)c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H25ClF3NO4/c1-18-24(28(36)37)25(21-13-8-14-22(31)17-21)26(27(35-18)30(32,33)34)29(38)39-16-15-23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,17,23,25,35H,15-16H2,1H3,(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CVCCPDLNTOSRRP-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