General Information of the Compound
| Compound ID |
CP0464375
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| Compound Name |
1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C27H30N2O3
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| Molecular Weight |
430.548
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H30N2O3/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24H,16-21H2,1H3
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| InChIKey |
NVQUZQNWBJQXMB-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: PT01004, Alpha-1D adrenergic receptor