General Information of the Compound
| Compound ID |
CP0455316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2-aminopyridin-4-yl)-[9-[(2,2-dimethylchromen-8-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N4O2
|
||||||||||||||||||
| Molecular Weight |
446.595
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2c(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)cccc2C=C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N4O2/c1-26(2)8-6-20-4-3-5-22(24(20)33-26)19-30-14-9-27(10-15-30)11-16-31(17-12-27)25(32)21-7-13-29-23(28)18-21/h3-8,13,18H,9-12,14-17,19H2,1-2H3,(H2,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCIHJSOOSHZRET-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