General Information of the Compound
| Compound ID |
CP0103382
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R,7S)-8-[(3-ethyl-2H-indazol-5-yl)methyl]-1-(3-fluorophenyl)-3,7-dimethyl-2lambda6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30FN5O2S
|
||||||||||||||||||
| Molecular Weight |
471.602
|
||||||||||||||||||
| Canonical SMILES |
CCc1n[nH]c2ccc(CN3CC[C@]4(CN(C)S(=O)(=O)N4c4cccc(F)c4)C[C@@H]3C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30FN5O2S/c1-4-22-21-12-18(8-9-23(21)27-26-22)15-29-11-10-24(14-17(29)2)16-28(3)33(31,32)30(24)20-7-5-6-19(25)13-20/h5-9,12-13,17H,4,10-11,14-16H2,1-3H3,(H,26,27)/t17-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FUWIMDVZJVRXTN-BXKMTCNYSA-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