General Information of the Compound
| Compound ID |
CP0029575
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[[3-(propanoylamino)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29Cl2F3N6O5
|
||||||||||||||||||
| Molecular Weight |
657.477
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C(F)(F)F.CCC(=O)Nc1cccc(CN2CCC(CC2)NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28Cl2N6O3.C2HF3O2/c1-2-22(35)30-18-6-3-5-16(13-18)15-34-11-9-17(10-12-34)31-26(37)24-21(14-29-33-24)32-25(36)23-19(27)7-4-8-20(23)28;3-2(4,5)1(6)7/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,29,33)(H,30,35)(H,31,37)(H,32,36);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQPWCQUMNDFXMA-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