General Information of the Compound
| Compound ID |
CP0521426
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2S)-1,1,1-trifluoropropan-2-yl] (4S)-4-(furan-2-yl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16F3N3O3
|
||||||||||||||||||
| Molecular Weight |
391.349
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](OC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccco1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16F3N3O3/c1-10-15(17(26)28-11(2)19(20,21)22)16(14-8-5-9-27-14)25-13-7-4-3-6-12(13)24-18(25)23-10/h3-9,11,16H,1-2H3,(H,23,24)/t11-,16+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WEBDASJNSDOZKP-MEDUHNTESA-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