General Information of the Compound
| Compound ID |
CP0486634
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4aS,10R,10aS)-2'-amino-8-(5-chloropyridin-3-yl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19ClN4O3
|
||||||||||||||||||
| Molecular Weight |
398.85
|
||||||||||||||||||
| Canonical SMILES |
CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19ClN4O3/c1-25-18(26)20(24-19(25)22)14-7-11(12-6-13(21)9-23-8-12)2-3-16(14)28-17-4-5-27-10-15(17)20/h2-3,6-9,15,17H,4-5,10H2,1H3,(H2,22,24)/t15-,17-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCJJWRHVWDIJCQ-KNBMTAEXSA-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