General Information of the Compound
| Compound ID |
CP0278499
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| Compound Name |
(+/-)-3-difluoromethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline
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| Structure |
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| Formula |
C10H10F2N2O2
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| Molecular Weight |
228.198
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| Canonical SMILES |
[O-][N+](=O)c1ccc2CC(NCc2c1)C(F)F
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| InChI |
InChI=1S/C10H10F2N2O2/c11-10(12)9-4-6-1-2-8(14(15)16)3-7(6)5-13-9/h1-3,9-10,13H,4-5H2
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| InChIKey |
UCPKZVRFLFELDS-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