General Information of the Compound
| Compound ID |
CP0653407
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| Compound Name |
Lithium salt of 2-(2,4-dichloro-benzoylamino)-5-(3-nitro-pyridin-2-yloxy)-benzoate
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| Structure |
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| Formula |
C19H10Cl2LiN3O6
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| Molecular Weight |
454.151
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| Canonical SMILES |
O=C(Nc1ccc(Oc2ncccc2[N+](=O)[O-])cc1C(=O)[O-])c1ccc(Cl)cc1Cl.[Li+]
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| InChI |
InChI=1S/C19H11Cl2N3O6.Li/c20-10-3-5-12(14(21)8-10)17(25)23-15-6-4-11(9-13(15)19(26)27)30-18-16(24(28)29)2-1-7-22-18;/h1-9H,(H,23,25)(H,26,27);/q;+1/p-1
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| InChIKey |
GHBRFQMJOTYFCM-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