General Information of the Compound
| Compound ID |
CP0528548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(2-fluorophenyl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)-N-hydroxyacetimidamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26Cl2FN5O2
|
||||||||||||||||||
| Molecular Weight |
566.464
|
||||||||||||||||||
| Canonical SMILES |
ONC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)c1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26Cl2FN5O2/c30-20-11-9-19(10-12-20)28-22(17-26(33)35-39)27(34-37(28)25-8-4-2-6-23(25)31)29(38)36-15-13-18(14-16-36)21-5-1-3-7-24(21)32/h1-12,18,39H,13-17H2,(H2,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQLYQHCXTGRRAD-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