General Information of the Compound
| Compound ID |
CP0484760
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| Compound Name |
N-[2-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
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| Structure |
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| Formula |
C21H28F4N4O3
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| Molecular Weight |
460.472
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| Canonical SMILES |
Fc1ccc(N2CCN(CCNC(=O)CN3CCCCC3=O)CC2)c(OCC(F)(F)F)c1
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| InChI |
InChI=1S/C21H28F4N4O3/c22-16-4-5-17(18(13-16)32-15-21(23,24)25)28-11-9-27(10-12-28)8-6-26-19(30)14-29-7-2-1-3-20(29)31/h4-5,13H,1-3,6-12,14-15H2,(H,26,30)
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| InChIKey |
HJDROFKHSGSZLZ-UHFFFAOYSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor