General Information of the Compound
| Compound ID |
CP0866471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-butynyl)-6-(4-oxazol-5-ylbenzoyl)-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27ClF3N5O3
|
||||||||||||||||||
| Molecular Weight |
598.025
|
||||||||||||||||||
| Canonical SMILES |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-c3cnco3)cc1)CC2.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H26F3N5O3.ClH/c1-3-4-14-38-28(40)24-17-37(27(39)22-7-5-21(6-8-22)26-16-34-18-41-26)15-13-25(24)36-29(38)35-19(2)20-9-11-23(12-10-20)30(31,32)33;/h5-12,16,18-19H,13-15,17H2,1-2H3,(H,35,36);1H/t19-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RKIIWHLLYWOEMF-FYZYNONXSA-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