General Information of the Compound
| Compound ID |
CP0967999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Lithium(4S,5R,7R)-8-{[{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}(methyl)amino]carbonyl}-7-(4-fluoro-2-methylphenyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29F7LiN3O3
|
||||||||||||||||||
| Molecular Weight |
595.485
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(F)ccc1[C@H]1C[C@@]2(CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC[C@@H]2C(=O)[O-].[Li+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30F7N3O3.Li/c1-15-10-20(29)4-5-21(15)23-14-26(22(24(39)40)6-8-36-26)7-9-38(23)25(41)37(3)16(2)17-11-18(27(30,31)32)13-19(12-17)28(33,34)35;/h4-5,10-13,16,22-23,36H,6-9,14H2,1-3H3,(H,39,40);/q;+1/p-1/t16-,22-,23-,26-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTXCDSFYKPESPC-HSXPHTSJSA-M
|
||||||||||||||||||
| 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