General Information of the Compound
| Compound ID |
CP0525007
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| Compound Name |
3-(2,4-Dihydroxybenzylidene)anabaseine
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| Structure |
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| Formula |
C17H16N2O2
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| Molecular Weight |
280.327
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| Canonical SMILES |
Oc1ccc(\C=C2/CCCN=C2c2cccnc2)c(O)c1
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| InChI |
InChI=1S/C17H16N2O2/c20-15-6-5-12(16(21)10-15)9-13-3-2-8-19-17(13)14-4-1-7-18-11-14/h1,4-7,9-11,20-21H,2-3,8H2/b13-9+
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| InChIKey |
QRWSRVCUSXDCQU-UKTHLTGXSA-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