General Information of the Compound
| Compound ID |
CP0440196
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-N'-[3-fluoro-4-[5-methyl-6-(4-methylpiperazine-1-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29F2N7O4
|
||||||||||||||||||
| Molecular Weight |
589.603
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29F2N7O4/c1-18-22(27(40)38-13-11-37(2)12-14-38)16-39-25(18)26(33-17-34-39)43-24-8-7-21(15-23(24)32)36-29(42)30(9-10-30)28(41)35-20-5-3-19(31)4-6-20/h3-8,15-17H,9-14H2,1-2H3,(H,35,41)(H,36,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYSJUNZHGJEVEW-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 | |||||||||||||||||||
| 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