General Information of the Compound
| Compound ID |
CP0332075
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-methoxyphenyl)spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N4O2
|
||||||||||||||||||
| Molecular Weight |
372.428
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CC3)-c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N4O2/c1-28-14-5-2-12(3-6-14)20-23-10-13-4-7-15-16-19(25-18(15)17(13)26-20)22(8-9-22)11-24-21(16)27/h2-3,5-6,10,25H,4,7-9,11H2,1H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNTJTSKIEIMYPD-UHFFFAOYSA-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