General Information of the Compound
| Compound ID |
CP0002204
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| Compound Name |
CHEMBL3037928
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| Formula |
C12H15NO2
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| Molecular Weight |
205.257
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| Canonical SMILES |
O=C([C@@H]1C[C@@H]2CNC[C@@H]2C1)c1ccco1
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| InChI |
InChI=1S/C12H15NO2/c14-12(11-2-1-3-15-11)8-4-9-6-13-7-10(9)5-8/h1-3,8-10,13H,4-7H2/t8-,9-,10+
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| InChIKey |
NZYPTMVAFUKKKD-OWUUHHOZSA-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