General Information of the Compound
| Compound ID |
CP0179840
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18N2O
|
||||||||||||||||||
| Molecular Weight |
266.344
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N2O/c18-17(20)14-8-6-12(7-9-14)11-19-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,19H,10-11H2,(H2,18,20)/t15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHTUKLBQQULPOW-CVEARBPZSA-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