General Information of the Compound
| Compound ID |
CP0389419
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| Compound Name |
2-[3-(6-hydroxynaphthalen-2-yl)prop-2-ynoylamino]cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C20H17NO4
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| Molecular Weight |
335.359
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| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)C#Cc1ccc2cc(O)ccc2c1
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| InChI |
InChI=1S/C20H17NO4/c22-16-9-8-14-11-13(5-7-15(14)12-16)6-10-19(23)21-18-4-2-1-3-17(18)20(24)25/h5,7-9,11-12,22H,1-4H2,(H,21,23)(H,24,25)
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| InChIKey |
HRENAONSNVROBZ-UHFFFAOYSA-N
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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