General Information of the Compound
| Compound ID |
CP0174600
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4aS,10R,10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19ClFN3O3
|
||||||||||||||||||
| Molecular Weight |
415.852
|
||||||||||||||||||
| Canonical SMILES |
CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19ClFN3O3/c1-26-19(27)21(25-20(26)24)15-8-11(12-6-13(22)9-14(23)7-12)2-3-17(15)29-18-4-5-28-10-16(18)21/h2-3,6-9,16,18H,4-5,10H2,1H3,(H2,24,25)/t16-,18-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXWMFIUSWQAUPD-MDKPJZGXSA-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