General Information of the Compound
| Compound ID |
CP0419315
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| Compound Name |
N-[2-[4-(4-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
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| Structure |
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| Formula |
C22H33FN4O3
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| Molecular Weight |
420.529
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| Canonical SMILES |
CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1
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| InChI |
InChI=1S/C22H33FN4O3/c1-17(2)30-20-15-18(23)6-7-19(20)26-13-11-25(12-14-26)10-8-24-21(28)16-27-9-4-3-5-22(27)29/h6-7,15,17H,3-5,8-14,16H2,1-2H3,(H,24,28)
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| InChIKey |
PQRGVSYFNXKMPS-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