General Information of the Compound
| Compound ID |
CP0688480
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| Compound Name |
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-(4-methylbenzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
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| Structure |
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| Formula |
C26H35N3O5S
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| Molecular Weight |
501.649
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1
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| InChI |
InChI=1S/C26H35N3O5S/c1-21-7-9-23(10-8-21)35(30,31)29-13-11-26(12-14-29)33-20-22(34-26)19-27-15-17-28(18-16-27)24-5-3-4-6-25(24)32-2/h3-10,22H,11-20H2,1-2H3
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| InChIKey |
VQLNHQYXLDPOCF-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