General Information of the Compound
| Compound ID |
CP0772147
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| Compound Name |
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-[4(trifluoromethoxy)benzenesulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
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| Structure |
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| Formula |
C26H32F3N3O6S
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| Molecular Weight |
571.618
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1
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| InChI |
InChI=1S/C26H32F3N3O6S/c1-35-24-5-3-2-4-23(24)31-16-14-30(15-17-31)18-21-19-36-25(37-21)10-12-32(13-11-25)39(33,34)22-8-6-20(7-9-22)38-26(27,28)29/h2-9,21H,10-19H2,1H3
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| InChIKey |
QCESWGLBLOFLSN-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