General Information of the Compound
| Compound ID |
CP0137649
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(3-Methoxy-phenyl)-10-methyl-9,10,11,12-tetrahydro-7-thia-4,9,12-triaza-naphtho[1,2-a]azulen-8-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19N3O2S
|
||||||||||||||||||
| Molecular Weight |
389.48
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19N3O2S/c1-12-11-23-20-19-15-6-7-16(13-4-3-5-14(10-13)27-2)25-17(15)8-9-18(19)28-21(20)22(26)24-12/h3-10,12,23H,11H2,1-2H3,(H,24,26)/t12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKAZZNSWVQMULP-GFCCVEGCSA-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