General Information of the Compound
| Compound ID |
CP0481537
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(cycloheptylamino)-1-isopropylcyclopentanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34F6N2O
|
||||||||||||||||||
| Molecular Weight |
492.548
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCCCCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34F6N2O/c1-16(2)23(10-9-21(14-23)33-20-7-5-3-4-6-8-20)22(34)32-15-17-11-18(24(26,27)28)13-19(12-17)25(29,30)31/h11-13,16,20-21,33H,3-10,14-15H2,1-2H3,(H,32,34)/t21-,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBWJAKGLKLIYCE-GGAORHGYSA-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