General Information of the Compound
| Compound ID |
CP0846012
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-((S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-2-((S)-1-hydroxypropan-2-ylamino)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23ClFN5O3
|
||||||||||||||||||
| Molecular Weight |
423.876
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](CO)Nc1ncc2c(n1)CN(C(=O)N[C@H](CO)c1ccc(F)c(Cl)c1)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23ClFN5O3/c1-11(9-27)23-18-22-7-13-4-5-26(8-16(13)24-18)19(29)25-17(10-28)12-2-3-15(21)14(20)6-12/h2-3,6-7,11,17,27-28H,4-5,8-10H2,1H3,(H,25,29)(H,22,23,24)/t11-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
POEPMYDYUFZICY-APPDUMDISA-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