General Information of the Compound
| Compound ID |
CP0381520
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R)-2-((4-(2-(azepan-1-yl)acetyl)piperazin-1-yl)methyl)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-N-methylcyclopropanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H39Cl2FN4O2
|
||||||||||||||||||
| Molecular Weight |
589.583
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCCCCC1)c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39Cl2FN4O2/c1-35(20-23-6-9-26(34)10-7-23)30(40)31(24-8-11-27(32)28(33)18-24)19-25(31)21-37-14-16-38(17-15-37)29(39)22-36-12-4-2-3-5-13-36/h6-11,18,25H,2-5,12-17,19-22H2,1H3/t25-,31+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AKTDKZICQYOPAE-VVFBEHOQSA-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