General Information of the Compound
| Compound ID |
CP0489768
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| Compound Name |
N-[3-[(3-ethynylphenyl)carbamoyl]-4-hydroxyphenyl]-N'-hydroxyheptanediamide
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| Structure |
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| Formula |
C22H23N3O5
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| Molecular Weight |
409.442
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| Canonical SMILES |
ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1cccc(c1)C#C
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| InChI |
InChI=1S/C22H23N3O5/c1-2-15-7-6-8-16(13-15)24-22(29)18-14-17(11-12-19(18)26)23-20(27)9-4-3-5-10-21(28)25-30/h1,6-8,11-14,26,30H,3-5,9-10H2,(H,23,27)(H,24,29)(H,25,28)
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| InChIKey |
ZPBHSFKZQWJMJB-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