General Information of the Compound
| Compound ID |
CP0570986
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-fluorophenyl)-1-methyl-N-[4-[6-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyrimidin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C33H36FN9O5
|
||||||||||||||||||
| Molecular Weight |
657.707
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H36FN9O5/c1-39-15-17-41(18-16-39)24-11-13-42(14-12-24)32(46)38-28-19-29(36-21-35-28)48-26-9-5-23(6-10-26)37-30(44)27-20-40(2)33(47)43(31(27)45)25-7-3-22(34)4-8-25/h3-10,19-21,24H,11-18H2,1-2H3,(H,37,44)(H,35,36,38,46)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZTURFSBHYCCGX-UHFFFAOYSA-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 | |||||||||||||||||||
| 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