General Information of the Compound
| Compound ID |
CP0763927
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| Compound Name |
2,2,2-Trifluoro-1-(2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
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| Structure |
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| Formula |
C21H28F3N3O4
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| Molecular Weight |
443.466
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1
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| InChI |
InChI=1S/C21H28F3N3O4/c1-29-18-5-3-2-4-17(18)26-12-10-25(11-13-26)14-16-15-30-20(31-16)6-8-27(9-7-20)19(28)21(22,23)24/h2-5,16H,6-15H2,1H3
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| InChIKey |
RPHOENXERNUVOJ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor