General Information of the Compound
| Compound ID |
CP0204775
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| Compound Name |
lithium;2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylate
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| Structure |
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| Formula |
C12H11LiN2O3
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| Molecular Weight |
238.172
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| Canonical SMILES |
[Li+].[O-]C(=O)c1ccnc(CNCc2ccco2)c1
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| InChI |
InChI=1S/C12H12N2O3.Li/c15-12(16)9-3-4-14-10(6-9)7-13-8-11-2-1-5-17-11;/h1-6,13H,7-8H2,(H,15,16);/q;+1/p-1
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| InChIKey |
RLSMOWZMCXMDDN-UHFFFAOYSA-M
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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