General Information of the Compound
| Compound ID |
CP0302983
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-Amino-3-(4-{2-amino-6-[2,2,2-trifluoro-1-(3'-methylbiphenyl-2-yl)-ethoxy]-pyrimidin-4-yl}-phenyl)propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F3N4O3
|
||||||||||||||||||
| Molecular Weight |
522.527
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(c1)-c1ccccc1C(Oc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F3N4O3/c1-16-5-4-6-19(13-16)20-7-2-3-8-21(20)25(28(29,30)31)38-24-15-23(34-27(33)35-24)18-11-9-17(10-12-18)14-22(32)26(36)37/h2-13,15,22,25H,14,32H2,1H3,(H,36,37)(H2,33,34,35)/t22-,25?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVQUGMFVHPEDLT-XADRRFQNSA-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
Protein ID: PT06573, Tryptophan 5-hydroxylase 1
Protein ID: PT07050, Tryptophan 5-hydroxylase 2