General Information of the Compound
| Compound ID |
CP0572072
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5076389
Show/Hide
|
||||||||||||||||||
| Formula |
C23H25ClFN5O
|
||||||||||||||||||
| Molecular Weight |
441.938
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@]3(CC[C@](C)(CC3)C#N)c2c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25ClFN5O/c1-22(11-26)6-8-23(9-7-22)12-29-20-17(23)18(24)14(10-28-20)13-4-5-15(27)16(19(13)25)21(31)30(2)3/h4-5,10H,6-9,12,27H2,1-3H3,(H,28,29)/t22-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCKYJOBKGVNBOW-YHBQERECSA-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