General Information of the Compound
Compound ID |
CP0524375
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
2-N-(3,5-dichloropyridin-2-yl)-2-N,3,6-triethyl-5-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazine-2,5-diamine
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C26H30Cl2FN5O
|
||||||||||||||||||
Molecular Weight |
518.464
|
||||||||||||||||||
Canonical SMILES |
CCN(c1ncc(Cl)cc1Cl)c1nc(CC)c(N[C@H]2[C@H](Cc3ccccc23)OCCF)nc1CC
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C26H30Cl2FN5O/c1-4-20-24(33-23-18-10-8-7-9-16(18)13-22(23)35-12-11-29)31-21(5-2)26(32-20)34(6-3)25-19(28)14-17(27)15-30-25/h7-10,14-15,22-23H,4-6,11-13H2,1-3H3,(H,31,33)/t22-,23+/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
KSIADLUJUXBOCA-XZOQPEGZSA-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