General Information of the Compound
| Compound ID |
CP0948122
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methoxy-6-(4-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24F3N5O4
|
||||||||||||||||||
| Molecular Weight |
515.492
|
||||||||||||||||||
| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3occc3n1C)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24F3N5O4/c1-14(15-4-6-16(7-5-15)25(26,27)28)29-24-30-18-8-10-32(13-17(18)22(34)33(24)36-3)23(35)20-12-21-19(31(20)2)9-11-37-21/h4-7,9,11-12,14H,8,10,13H2,1-3H3,(H,29,30)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YCSGFSXXQNVBQD-AWEZNQCLSA-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