General Information of the Compound
| Compound ID |
CP0548853
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| Compound Name |
(1R,4R)-2-(2-Oxa-5-aza-bicyclo[2.2.1]hept-5-yl)-benzo[h]chromen-4-one
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| Structure |
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| Formula |
C18H15NO3
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| Molecular Weight |
293.322
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| Canonical SMILES |
O=c1cc(oc2c3ccccc3ccc12)N1C[C@H]2C[C@@H]1CO2
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| InChI |
InChI=1S/C18H15NO3/c20-16-8-17(19-9-13-7-12(19)10-21-13)22-18-14-4-2-1-3-11(14)5-6-15(16)18/h1-6,8,12-13H,7,9-10H2/t12-,13-/m1/s1
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| InChIKey |
LRGHEIBOBFGJCW-CHWSQXEVSA-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