General Information of the Compound
| Compound ID |
CP0373029
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(Benzylamino)-6-(benzylthio)-2-(octylthio)pyrimidine-5-carboxylic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33N3O2S2
|
||||||||||||||||||
| Molecular Weight |
495.714
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCSc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N3O2S2/c1-2-3-4-5-6-13-18-33-27-29-24(28-19-21-14-9-7-10-15-21)23(26(31)32)25(30-27)34-20-22-16-11-8-12-17-22/h7-12,14-17H,2-6,13,18-20H2,1H3,(H,31,32)(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKBQVAKIOQFUCV-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