General Information of the Compound
| Compound ID |
CP0199294
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-4-iodo-N-pyridin-2-ylcubane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27IN4O2
|
||||||||||||||||||
| Molecular Weight |
554.432
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IUEHDTRLKKNLDW-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