General Information of the Compound
| Compound ID |
CP0534195
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2S)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[8-(trifluoromethyl)naphthalen-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H36F3N7O2
|
||||||||||||||||||
| Molecular Weight |
619.692
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2cccc(c12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H36F3N7O2/c1-3-29(44)43-18-17-42(19-23(43)12-14-37)31-25-13-16-41(20-27(25)38-32(39-31)45-21-24-9-6-15-40(24)2)28-11-5-8-22-7-4-10-26(30(22)28)33(34,35)36/h3-5,7-8,10-11,23-24H,1,6,9,12-13,15-21H2,2H3/t23-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FWHBOKRDXHCGNI-ZEQRLZLVSA-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