General Information of the Compound
| Compound ID |
CP0968060
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| Compound Name |
(E)-2-cyano-3-(2-methoxy-4-(piperidin-1-yl)phenyl)acrylic acid sodium
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| Structure |
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| Formula |
C16H17N2NaO3
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| Molecular Weight |
308.313
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| Canonical SMILES |
COc1cc(N2CCCCC2)ccc1/C=C(\C#N)C(=O)[O-].[Na+]
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| InChI |
InChI=1S/C16H18N2O3.Na/c1-21-15-10-14(18-7-3-2-4-8-18)6-5-12(15)9-13(11-17)16(19)20;/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20);/q;+1/p-1/b13-9+;
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| InChIKey |
RNXYKIBDVBCFMF-KJEVSKRMSA-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