General Information of the Compound
| Compound ID |
CP0442976
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| Compound Name |
(1R,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']difuran-4-yl)-propan-1-ol
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| Structure |
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| Formula |
C13H16BrNO3
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| Molecular Weight |
314.179
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| Canonical SMILES |
C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
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| InChI |
InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11+/m1/s1
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| InChIKey |
KVNVBZLTIQWYEK-KBUNVGBDSA-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: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C