General Information of the Compound
| Compound ID |
CP0880280
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N7O
|
||||||||||||||||||
| Molecular Weight |
389.463
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccccn1)c1cnn(CCNCCc2nc3ccccc3[nH]2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N7O/c29-21(24-14-17-5-3-4-9-23-17)16-13-25-28(15-16)12-11-22-10-8-20-26-18-6-1-2-7-19(18)27-20/h1-7,9,13,15,22H,8,10-12,14H2,(H,24,29)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQLVXFOBGAOXLE-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
Protein ID: PT06104, Solute carrier family 40 member 1
Protein ID: PT06354, Solute carrier family 40 member 1