General Information of the Compound
| Compound ID |
CP0484377
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-inden-1-yl)-1-(4-cyclohexylphenyl)-3-(4-(trifluoromethoxy)phenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H30F3N7O3
|
||||||||||||||||||
| Molecular Weight |
605.621
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)N(C2CCc3cc(ccc23)C(=O)Nc2nnn[nH]2)c2ccc(cc2)C2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30F3N7O3/c32-31(33,34)44-25-14-10-23(11-15-25)35-30(43)41(24-12-6-20(7-13-24)19-4-2-1-3-5-19)27-17-9-21-18-22(8-16-26(21)27)28(42)36-29-37-39-40-38-29/h6-8,10-16,18-19,27H,1-5,9,17H2,(H,35,43)(H2,36,37,38,39,40,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUFMNNBIMNNLGH-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