General Information of the Compound
| Compound ID |
CP0489771
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| Compound Name |
N-[5-[(3-ethynylphenyl)carbamoyl]-4-hydroxy-2-methoxyphenyl]-N'-hydroxyheptanediamide
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| Structure |
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| Formula |
C23H25N3O6
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| Molecular Weight |
439.468
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| Canonical SMILES |
COc1cc(O)c(cc1NC(=O)CCCCCC(=O)NO)C(=O)Nc1cccc(c1)C#C
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| InChI |
InChI=1S/C23H25N3O6/c1-3-15-8-7-9-16(12-15)24-23(30)17-13-18(20(32-2)14-19(17)27)25-21(28)10-5-4-6-11-22(29)26-31/h1,7-9,12-14,27,31H,4-6,10-11H2,2H3,(H,24,30)(H,25,28)(H,26,29)
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| InChIKey |
LHJPUTIWLKODQO-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