General Information of the Compound
| Compound ID |
CP0323726
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| Compound Name |
US8575364, 49
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| Structure |
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| Formula |
C17H19NO
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| Molecular Weight |
253.345
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| Canonical SMILES |
COc1ccc(cc1C1CCNC1)-c1ccccc1
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| InChI |
InChI=1S/C17H19NO/c1-19-17-8-7-14(13-5-3-2-4-6-13)11-16(17)15-9-10-18-12-15/h2-8,11,15,18H,9-10,12H2,1H3
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| InChIKey |
XKBSFBXGLVCANI-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