General Information of the Compound
| Compound ID |
CP0507972
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-6-methyl-N-(2-((5-methylfuran-2-yl)methylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27F3N2O2
|
||||||||||||||||||
| Molecular Weight |
504.552
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(cc4)C(F)(F)F)cc3C2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27F3N2O2/c1-18-4-3-5-27(28(18)20-7-10-23(11-8-20)30(31,32)33)29(36)35-24-12-9-21-14-25(16-22(21)15-24)34-17-26-13-6-19(2)37-26/h3-13,15,25,34H,14,16-17H2,1-2H3,(H,35,36)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRVDVWZPQCJMEN-VWLOTQADSA-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
Protein ID: PT02397, Protein smoothened
Protein ID: PT04361, Protein smoothened