General Information of the Compound
| Compound ID |
CP0517589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(1R)-1-[5-[(2S,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-fluoropyridin-2-yl]ethyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]-methylamino]-1-methylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28F5N5O3
|
||||||||||||||||||
| Molecular Weight |
541.521
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC(=O)N(C)N(C)C(=O)c1cc(F)cc(c1)C(F)(F)F)c1ncc(cc1F)C(=O)N1[C@@H](C)CC[C@H]1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28F5N5O3/c1-13-6-7-14(2)35(13)23(37)17-10-20(27)21(31-12-17)15(3)32-24(38)34(5)33(4)22(36)16-8-18(25(28,29)30)11-19(26)9-16/h8-15H,6-7H2,1-5H3,(H,32,38)/t13-,14+,15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQTGYPWUYZZLBV-QLFBSQMISA-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