General Information of the Compound
| Compound ID |
CP0427671
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)-5-methylpyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23F3N6O3S
|
||||||||||||||||||
| Molecular Weight |
556.57
|
||||||||||||||||||
| Canonical SMILES |
CC1CC[C@H](N1)C(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23F3N6O3S/c1-13-6-9-17(32-13)24(37)34-19-10-15(26(27,28)29)7-8-16(19)18-11-22(31-12-30-18)38-20-4-3-5-21-23(20)35-25(39-21)33-14(2)36/h3-5,7-8,10-13,17,32H,6,9H2,1-2H3,(H,34,37)(H,33,35,36)/t13?,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZXGELYJLDXQGH-RUINGEJQSA-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