General Information of the Compound
| Compound ID |
CP0469075
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R)-1-(3,4-dichlorophenyl)-2-((4-(3-(dimethylamino)-3-oxopropyl)piperazin-1-yl)methyl)-N-(4-fluorobenzyl)-N-methylcyclopropanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H35Cl2FN4O2
|
||||||||||||||||||
| Molecular Weight |
549.518
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)CCN1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35Cl2FN4O2/c1-32(2)26(36)10-11-34-12-14-35(15-13-34)19-22-17-28(22,21-6-9-24(29)25(30)16-21)27(37)33(3)18-20-4-7-23(31)8-5-20/h4-9,16,22H,10-15,17-19H2,1-3H3/t22-,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBLMHOGWPZTKCS-RBISFHTESA-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