General Information of the Compound
| Compound ID |
CP0009345
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| Compound Name |
5-Methoxy-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-triene
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| Structure |
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| Formula |
C13H17NO
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| Molecular Weight |
203.285
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| Canonical SMILES |
COc1ccc2C3CNCC(C3)Cc2c1
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| InChI |
InChI=1S/C13H17NO/c1-15-12-2-3-13-10(6-12)4-9-5-11(13)8-14-7-9/h2-3,6,9,11,14H,4-5,7-8H2,1H3
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| InChIKey |
IJGXBJUJDSODSN-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