General Information of the Compound
| Compound ID |
CP0319461
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| Compound Name |
((2R,3aS,12bS)-11-Methoxy-2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-ylmethyl)-dimethyl-amine
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| Structure |
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| Formula |
C20H23NO3
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| Molecular Weight |
325.408
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| Canonical SMILES |
COc1ccc2Oc3ccccc3[C@@H]3C[C@H](CN(C)C)O[C@@H]3c2c1
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| InChI |
InChI=1S/C20H23NO3/c1-21(2)12-14-11-16-15-6-4-5-7-18(15)24-19-9-8-13(22-3)10-17(19)20(16)23-14/h4-10,14,16,20H,11-12H2,1-3H3/t14-,16+,20+/m1/s1
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| InChIKey |
WTOLUTWFGQZSLB-IIMJZQEZSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C