General Information of the Compound
Compound ID |
CP0376094
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
1-(3-Amino-3-thiophen-2-yl-propyl)-3-(2,6-difluoro-benzyl)-5-(3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C24H22F2N4O4S
|
||||||||||||||||||
Molecular Weight |
500.527
|
||||||||||||||||||
Canonical SMILES |
COc1cccc(c1)-n1c(=O)n(CCC(N)c2cccs2)c(=O)n(Cc2c(F)cccc2F)c1=O
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C24H22F2N4O4S/c1-34-16-6-2-5-15(13-16)30-23(32)28(11-10-20(27)21-9-4-12-35-21)22(31)29(24(30)33)14-17-18(25)7-3-8-19(17)26/h2-9,12-13,20H,10-11,14,27H2,1H3
Show/Hide
|
||||||||||||||||||
InChIKey |
PCPCJYQXCOEAMN-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