General Information of the Compound
| Compound ID |
CP0428761
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,3R)-3-[[5-(5-methoxypyridin-3-yl)-2,3-dihydro-1H-inden-1-yl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H38F3N3O2
|
||||||||||||||||||
| Molecular Weight |
577.691
|
||||||||||||||||||
| Canonical SMILES |
COc1cncc(c1)-c1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H38F3N3O2/c1-21(2)33(32(41)40-13-11-22-4-7-27(34(35,36)37)15-26(22)20-40)12-10-28(17-33)39-31-9-6-24-14-23(5-8-30(24)31)25-16-29(42-3)19-38-18-25/h4-5,7-8,14-16,18-19,21,28,31,39H,6,9-13,17,20H2,1-3H3/t28-,31?,33+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCPNGDHETMPBSE-RXWNCDSGSA-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