General Information of the Compound
| Compound ID |
CP0468082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-fluoro-4-methylsulfonylphenyl)-6-[[(1R,5R)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-nitropyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22FN5O7S2
|
||||||||||||||||||
| Molecular Weight |
515.545
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22FN5O7S2/c1-33(28,29)14-5-6-16(15(20)9-14)23-18-17(25(26)27)19(22-10-21-18)32-13-7-11-3-4-12(8-13)24(11)34(2,30)31/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,21,22,23)/t11-,12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LWYVXFZXCGEDMS-VXGBXAGGSA-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