General Information of the Compound
| Compound ID |
CP0921796
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| Compound Name |
sodium 6-(6-chloro-3-isobutyl-1H-indol-1-yl)picolinate
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| Structure |
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| Formula |
C18H16ClN2NaO2
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| Molecular Weight |
350.781
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| Canonical SMILES |
CC(C)Cc1cn(-c2cccc(C(=O)[O-])n2)c2cc(Cl)ccc12.[Na+]
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| InChI |
InChI=1S/C18H17ClN2O2.Na/c1-11(2)8-12-10-21(16-9-13(19)6-7-14(12)16)17-5-3-4-15(20-17)18(22)23;/h3-7,9-11H,8H2,1-2H3,(H,22,23);/q;+1/p-1
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| InChIKey |
WBXVYJHMKKGYEA-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