General Information of the Compound
| Compound ID |
CP0189882
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10112931, Example 429
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClF2N6O2
|
||||||||||||||||||
| Molecular Weight |
434.834
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClF2N6O2/c1-11(16-8-27(10-24-16)13-4-2-12(20)3-5-13)25-18-23-7-15(22)17(26-18)28-14(6-21)9-30-19(28)29/h2-5,7-8,10-11,14H,6,9H2,1H3,(H,23,25,26)/t11-,14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRSNVVPVDMADPO-FZMZJTMJSA-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