General Information of the Compound
| Compound ID |
CP0510053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-6-methyl-N-(2-(thiophen-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25F3N2OS
|
||||||||||||||||||
| Molecular Weight |
506.593
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2cccs2)c1-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25F3N2OS/c1-18-4-2-6-26(27(18)19-7-10-22(11-8-19)29(30,31)32)28(35)34-23-12-9-20-14-24(16-21(20)15-23)33-17-25-5-3-13-36-25/h2-13,15,24,33H,14,16-17H2,1H3,(H,34,35)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JPOBQBQZOFXPBG-DEOSSOPVSA-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: PT02750, Microsomal triglyceride transfer protein large subunit
Protein ID: PT04361, Protein smoothened
Protein ID: PT02397, Protein smoothened