General Information of the Compound
| Compound ID |
CP0388001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3087218
Show/Hide
|
||||||||||||||||||
| Formula |
C18H18N2O3
|
||||||||||||||||||
| Molecular Weight |
310.353
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N2O3/c1-23-17(21)20-15-5-6-16(20)11-18(22,10-15)8-7-13-3-2-4-14(9-13)12-19/h2-4,9,15-16,22H,5-6,10-11H2,1H3/t15-,16+,18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CEHVVLAUAIANGP-VQFNDLOPSA-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 | |||||||||||||||||||
| 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