General Information of the Compound
| Compound ID |
CP0393124
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[[5-[(3-aminocyclohexanecarbonyl)amino]-1H-indazol-3-yl]amino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N5O3
|
||||||||||||||||||
| Molecular Weight |
407.474
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(Nc2n[nH]c3ccc(NC(=O)C4CCCC(N)C4)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N5O3/c1-30-22(29)14-5-3-7-16(11-14)24-20-18-12-17(8-9-19(18)26-27-20)25-21(28)13-4-2-6-15(23)10-13/h3,5,7-9,11-13,15H,2,4,6,10,23H2,1H3,(H,25,28)(H2,24,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNIXLCMRPXWNGY-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