General Information of the Compound
| Compound ID |
CP0491069
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamido)-3-methylpentanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32ClN3O3
|
||||||||||||||||||
| Molecular Weight |
421.969
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)N1CCC2(CN(C)C2c2ccc(Cl)cc2)CC1)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H32ClN3O3/c1-5-15(2)18(20(27)29-4)24-21(28)26-12-10-22(11-13-26)14-25(3)19(22)16-6-8-17(23)9-7-16/h6-9,15,18-19H,5,10-14H2,1-4H3,(H,24,28)/t15-,18-,19?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CUPIZYRWWZBTQB-SIYBWXAISA-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