General Information of the Compound
| Compound ID |
CP0570840
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 3-amino-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]-5-[4-[[4-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]imidazole-4-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C27H27F3N6O4
|
||||||||||||||||||
| Molecular Weight |
556.545
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27F3N6O4/c1-3-21(37)35-14-6-5-7-19(35)24-34-22(23(36(24)31)26(39)40-4-2)16-8-10-17(11-9-16)25(38)33-20-15-18(12-13-32-20)27(28,29)30/h3,8-13,15,19H,1,4-7,14,31H2,2H3,(H,32,33,38)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UROOBKLEBIHDNY-IBGZPJMESA-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 | |||||||||||||||||||
| 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