General Information of the Compound
| Compound ID |
CP0468298
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| Compound Name |
1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C20H30N2OS2
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| Molecular Weight |
378.607
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1
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| InChI |
InChI=1S/C20H30N2OS2/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3
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| InChIKey |
GTCQGGCMEIGXAN-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