General Information of the Compound
| Compound ID |
CP0452460
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-acetamido-7-(4-butylphenyl)-6-fluoro-5,10-dihydroindeno[1,2-b]indole-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25FN2O3
|
||||||||||||||||||
| Molecular Weight |
456.517
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1ccc(cc1)-c1ccc2c3Cc4cc(C(O)=O)c(NC(C)=O)cc4-c3[nH]c2c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25FN2O3/c1-3-4-5-16-6-8-17(9-7-16)19-10-11-20-22-12-18-13-23(28(33)34)24(30-15(2)32)14-21(18)26(22)31-27(20)25(19)29/h6-11,13-14,31H,3-5,12H2,1-2H3,(H,30,32)(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHGSUNIEZVUQEJ-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