General Information of the Compound
| Compound ID |
CP0184024
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| Compound Name |
Clopenphendioxan
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| Structure |
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| Formula |
C25H28ClNO5
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| Molecular Weight |
457.954
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| Canonical SMILES |
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H28ClNO5/c1-28-23-8-5-9-24(29-2)25(23)31-17-15-27-14-16-30-21-6-3-4-7-22(21)32-18-19-10-12-20(26)13-11-19/h3-13,27H,14-18H2,1-2H3
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| InChIKey |
RUMAWEVINCSBHA-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