General Information of the Compound
| Compound ID |
CP0849648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-8-(2-(7-chloro-5H-tetrazolo[5,1-a]isoindol-8-yl)-2-hydroxyethyl)-2-(4-methyl-5-oxo-2,5-dihydrofuran-3-yl)-2,8-diazaspiro[4.5]decan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25ClN6O4
|
||||||||||||||||||
| Molecular Weight |
484.944
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(N2CCC3(CCN(C[C@@H](O)c4cc5c(cc4Cl)Cn4nnnc4-5)CC3)C2=O)COC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25ClN6O4/c1-13-18(12-34-21(13)32)29-7-4-23(22(29)33)2-5-28(6-3-23)11-19(31)16-9-15-14(8-17(16)24)10-30-20(15)25-26-27-30/h8-9,19,31H,2-7,10-12H2,1H3/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVXLYUPAJRSYBO-LJQANCHMSA-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