General Information of the Compound
| Compound ID |
CP0009001
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| Compound Name |
4,6-dioxa-14-azatetracyclo[10.3.1.02,10.03,7]hexadeca-2,7,9-triene
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| Structure |
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| Formula |
C13H15NO2
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| Molecular Weight |
217.268
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| Canonical SMILES |
C1Oc2ccc3CC4CNCC(C4)c3c2O1
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| InChI |
InChI=1S/C13H15NO2/c1-2-11-13(16-7-15-11)12-9(1)3-8-4-10(12)6-14-5-8/h1-2,8,10,14H,3-7H2
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| InChIKey |
JCOOLTXCASTQDG-UHFFFAOYSA-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