General Information of the Compound
| Compound ID |
CP0272776
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-2-amino-1-(3-chloro-4-fluorophenyl)ethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24ClFN6O
|
||||||||||||||||||
| Molecular Weight |
406.893
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CN)c1ccc(F)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24ClFN6O/c1-11(2)24-18-23-9-13-5-6-27(10-17(13)25-18)19(28)26-16(8-22)12-3-4-15(21)14(20)7-12/h3-4,7,9,11,16H,5-6,8,10,22H2,1-2H3,(H,26,28)(H,23,24,25)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OYQCTXJSPXUAFH-MRXNPFEDSA-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