General Information of the Compound
| Compound ID |
CP0415938
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S,4S)-3-phenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12N2O2
|
||||||||||||||||||
| Molecular Weight |
240.262
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1n[nH]c2[C@H]3[C@@H](Cc12)[C@@H]3c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12N2O2/c17-14(18)13-9-6-8-10(7-4-2-1-3-5-7)11(8)12(9)15-16-13/h1-5,8,10-11H,6H2,(H,15,16)(H,17,18)/t8-,10-,11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJVDLDUXOXOQJX-LSJOCFKGSA-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