General Information of the Compound
| Compound ID |
CP0539560
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-N-[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)azetidin-3-yl]-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N8O2S
|
||||||||||||||||||
| Molecular Weight |
424.49
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1nnc(o1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N8O2S/c1-8-5-12-21-9(2)25-27(12)18-13(8)14(20)15(30-18)16(28)22-11-6-26(7-11)19-24-23-17(29-19)10-3-4-10/h5,10-11H,3-4,6-7,20H2,1-2H3,(H,22,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDWUDCXNLODAIT-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