General Information of the Compound
| Compound ID |
CP0699735
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| Compound Name |
(6,7-Dihydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dimethyl-ammonium
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| Structure |
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| Formula |
C12H17NO2
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| Molecular Weight |
207.273
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| Canonical SMILES |
CN(C)C1CCc2cc(O)c(O)cc2C1
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| InChI |
InChI=1S/C12H17NO2/c1-13(2)10-4-3-8-6-11(14)12(15)7-9(8)5-10/h6-7,10,14-15H,3-5H2,1-2H3
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| InChIKey |
JWLJBTDXCBIGBW-UHFFFAOYSA-N
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| CAS |
66543-77-9
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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