General Information of the Compound
| Compound ID |
CP0558501
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-(4-fluorophenyl)sulfonyl-N-[[6-[6-(trifluoromethyl)pyridin-3-yl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19F4N5O3S
|
||||||||||||||||||
| Molecular Weight |
509.485
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19F4N5O3S/c23-15-4-6-17(7-5-15)35(33,34)31-9-1-2-19(31)21(32)28-12-16-10-18(30-13-29-16)14-3-8-20(27-11-14)22(24,25)26/h3-8,10-11,13,19H,1-2,9,12H2,(H,28,32)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVMFNJJDFFARPS-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 | |||||||||||||||||||
| 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