General Information of the Compound
| Compound ID |
CP0165238
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[(5E)-5-[(10-methylphenothiazin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N2O5S3
|
||||||||||||||||||
| Molecular Weight |
528.677
|
||||||||||||||||||
| Canonical SMILES |
CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)OCC4COC(C)(C)O4)C3=O)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N2O5S3/c1-25(2)31-14-16(32-25)13-30-22(28)12-27-23(29)21(35-24(27)33)11-15-8-9-18-20(10-15)34-19-7-5-4-6-17(19)26(18)3/h4-11,16H,12-14H2,1-3H3/b21-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPHJRUZANDHSCX-SRZZPIQSSA-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 | |||||||||||||||||||