General Information of the Compound
| Compound ID |
CP0473024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-[(E)-4-fluorobut-2-enoyl]piperazin-2-yl]acetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H37ClFN7O2
|
||||||||||||||||||
| Molecular Weight |
618.157
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)\C=C\CF)c1cccc2cccc(Cl)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H37ClFN7O2/c1-39-16-5-8-25(39)22-44-33-37-28-21-40(29-10-3-7-23-6-2-9-27(34)31(23)29)17-13-26(28)32(38-33)41-18-19-42(24(20-41)12-15-36)30(43)11-4-14-35/h2-4,6-7,9-11,24-25H,5,8,12-14,16-22H2,1H3/b11-4+/t24-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPHPKUGYFLPAGE-AZJXSEBJSA-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