General Information of the Compound
| Compound ID |
CP0901636
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-(2-(cyclopropylamino)-3-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)pyrido[3,4-b]pyrazin-5-yl)(morpholino)methanone 2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30F6N6O4
|
||||||||||||||||||
| Molecular Weight |
640.585
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)C(F)(F)F.O=C(c1nccc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc12)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29F3N6O2.C2HF3O2/c28-17-1-4-19(20(29)15-17)22(30)16-6-9-35(10-7-16)26-25(32-18-2-3-18)33-21-5-8-31-24(23(21)34-26)27(37)36-11-13-38-14-12-36;3-2(4,5)1(6)7/h1,4-5,8,15-16,18,22H,2-3,6-7,9-14H2,(H,32,33);(H,6,7)/t22-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFVKZRIJRDXACL-VZYDHVRKSA-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