General Information of the Compound
| Compound ID |
CP0463163
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4'-[1-cyclopropyl-3-(3-methoxy-phenyl)-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl]-biphenyl-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H30N4O3
|
||||||||||||||||||
| Molecular Weight |
506.606
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(C2CC2)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30N4O3/c1-38-28-7-3-6-27(19-28)34-29(36)31(35(30(34)37)26-12-13-26)14-16-33(17-15-31)21-22-8-10-24(11-9-22)25-5-2-4-23(18-25)20-32/h2-11,18-19,26H,12-17,21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAZCJZCOLBDGIT-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