General Information of the Compound
| Compound ID |
CP0440688
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4519861
Show/Hide
|
||||||||||||||||||
| Formula |
C23H25ClFN5O3
|
||||||||||||||||||
| Molecular Weight |
473.936
|
||||||||||||||||||
| Canonical SMILES |
COCc1nnc(N2C[C@@H]3C[C@@H](C[C@@H]3C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25ClFN5O3/c1-31-13-21-27-28-23(30(21)17-4-6-22(32-2)26-10-17)29-11-14-7-18(8-15(14)12-29)33-20-5-3-16(25)9-19(20)24/h3-6,9-10,14-15,18H,7-8,11-13H2,1-2H3/t14-,15+,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICXANCYCUWAQSE-JLVBRIDZSA-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 | |||||||||||||||||||
| 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