General Information of the Compound
| Compound ID |
CP0548101
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(cyclopropanecarbonylamino)-4-[3-[[4-(diethylcarbamoyl)phenyl]carbamoyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33N7O5
|
||||||||||||||||||
| Molecular Weight |
562.6453053
|
||||||||||||||||||
| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)C(=O)N(CC)CC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33N7O5/c1-5-36(6-2)29(40)18-12-14-19(15-13-18)31-27(38)20-8-7-9-21(25(20)41-4)32-22-16-23(33-26(37)17-10-11-17)34-35-24(22)28(39)30-3/h7-9,12-17H,5-6,10-11H2,1-4H3,(H,30,39)(H,31,38)(H2,32,33,34,37)/i3D3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPYFENIVPHTHGN-HPRDVNIFSA-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 | |||||||||||||||||||
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