General Information of the Compound
| Compound ID |
CP0492773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(4-acetamido-4-phenylpiperidin-1-yl)-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]-2-oxoethyl]amino]-4-phenylpiperidin-4-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C47H53F6N7O3
|
||||||||||||||||||
| Molecular Weight |
877.975
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccccc1)N1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C47H53F6N7O3/c1-34(61)54-44(38-14-8-4-9-15-38)18-22-57(23-19-44)60(58-24-20-45(21-25-58,55-35(2)62)39-16-10-5-11-17-39)33-43(63)59-27-26-56(32-42(59)37-12-6-3-7-13-37)31-36-28-40(46(48,49)50)30-41(29-36)47(51,52)53/h3-17,28-30,42H,18-27,31-33H2,1-2H3,(H,54,61)(H,55,62)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCENIIHYFVGIKL-UHFFFAOYSA-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: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor