General Information of the Compound
| Compound ID |
CP0132840
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(methanesulfonamido)ethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26ClFN6O3S
|
||||||||||||||||||
| Molecular Weight |
484.985
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CNS(C)(=O)=O)c1ccc(F)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26ClFN6O3S/c1-12(2)25-19-23-9-14-6-7-28(11-18(14)26-19)20(29)27-17(10-24-32(3,30)31)13-4-5-16(22)15(21)8-13/h4-5,8-9,12,17,24H,6-7,10-11H2,1-3H3,(H,27,29)(H,23,25,26)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVFRSXHTWWXYBO-QGZVFWFLSA-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