General Information of the Compound
| Compound ID |
CP0405693
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamido)-3-methylpentanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31ClFN3O4
|
||||||||||||||||||
| Molecular Weight |
516.013
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31ClFN3O4/c1-4-17(2)22(24(33)36-3)30-26(35)31-14-12-27(13-15-31)23(18-8-10-19(28)11-9-18)32(25(27)34)21-7-5-6-20(29)16-21/h5-11,16-17,22-23H,4,12-15H2,1-3H3,(H,30,35)/t17-,22-,23?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJDZKBLBXMMBPG-QPTFRZOZSA-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