General Information of the Compound
| Compound ID |
CP0444097
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((3S,4S)-3-{4-[Allyl-(5-trifluoromethyl-pyridin-2-yl)-amino]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-cyclohexyl-methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H41F3N4O
|
||||||||||||||||||
| Molecular Weight |
554.701
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(nc1)N(CC=C)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H41F3N4O/c1-2-17-39(30-14-13-27(20-36-30)32(33,34)35)28-15-18-37(19-16-28)21-26-22-38(31(40)25-11-7-4-8-12-25)23-29(26)24-9-5-3-6-10-24/h2-3,5-6,9-10,13-14,20,25-26,28-29H,1,4,7-8,11-12,15-19,21-23H2/t26-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VMXYUCYCVWLMDE-LITSAYRRSA-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