General Information of the Compound
| Compound ID |
CP0039634
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| Compound Name |
3-Fluoromethyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline
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| Structure |
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| Formula |
C10H11FN2O2
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| Molecular Weight |
210.208
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| Canonical SMILES |
[O-][N+](=O)c1ccc2CC(CF)NCc2c1
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| InChI |
InChI=1S/C10H11FN2O2/c11-5-9-3-7-1-2-10(13(14)15)4-8(7)6-12-9/h1-2,4,9,12H,3,5-6H2
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| InChIKey |
UVZIROVIMYDLKZ-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