General Information of the Compound
| Compound ID |
CP0895231
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| Compound Name |
sodium 2-(6-chloro-3-isobutyl-1H-indol-1-yl)benzoate
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| Structure |
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| Formula |
C19H17ClNNaO2
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| Molecular Weight |
349.793
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| Canonical SMILES |
CC(C)Cc1cn(-c2ccccc2C(=O)[O-])c2cc(Cl)ccc12.[Na+]
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| InChI |
InChI=1S/C19H18ClNO2.Na/c1-12(2)9-13-11-21(18-10-14(20)7-8-15(13)18)17-6-4-3-5-16(17)19(22)23;/h3-8,10-12H,9H2,1-2H3,(H,22,23);/q;+1/p-1
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| InChIKey |
ZUHGVOGQRBPLKL-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