General Information of the Compound
| Compound ID |
CP0400827
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazin-1-yl)propyl)-10H-phenothiazin-2-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N5O4S
|
||||||||||||||||||
| Molecular Weight |
521.643
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-14-12-30(13-15-31)10-5-11-32-20-6-3-4-7-22(20)37-23-9-8-19(16-21(23)32)17-26(34)35/h3-4,6-9,16,18H,5,10-15,17H2,1-2H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BACLISNXCXJOMR-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