General Information of the Compound
| Compound ID |
CP0529693
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-aminobenzimidazole, 10
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27F5N6O3
|
||||||||||||||||||
| Molecular Weight |
590.553
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(c(OC[C@H]5CCCN5C)c4)C(F)(F)C(F)(F)F)[nH]c3c2)ccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27F5N6O3/c1-34-25(40)23-14-19(9-10-35-23)42-18-6-8-21-22(13-18)38-26(37-21)36-16-5-7-20(27(29,30)28(31,32)33)24(12-16)41-15-17-4-3-11-39(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,34,40)(H2,36,37,38)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZPFHDSAWGBFFX-QGZVFWFLSA-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