General Information of the Compound
| Compound ID |
CP0408686
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| Compound Name |
8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-ylmethyl)-3-morpholin-4-yl-7-oxa-8-aza-bicyclo[4.2.0]octa-1(6),2,4-triene
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| Structure |
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| Formula |
C27H25BrN2O4
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| Molecular Weight |
521.411
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| Canonical SMILES |
Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)N4CCOCC4)O[C@@H]3c2c1
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| InChI |
InChI=1S/C27H25BrN2O4/c28-17-5-7-25-22(13-17)27-21(20-3-1-2-4-24(20)33-25)15-19(32-27)16-30-23-14-18(6-8-26(23)34-30)29-9-11-31-12-10-29/h1-8,13-14,19,21,27H,9-12,15-16H2/t19-,21-,27-/m0/s1
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| InChIKey |
PEWJZKLSPFMXFS-NJVGLYJLSA-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