General Information of the Compound
| Compound ID |
CP0523032
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| Compound Name |
N-[3-[(3-ethynylphenyl)carbamoyl]-4-methoxyphenyl]-N'-hydroxyheptanediamide
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| Structure |
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| Formula |
C23H25N3O5
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| Molecular Weight |
423.469
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| Canonical SMILES |
COc1ccc(NC(=O)CCCCCC(=O)NO)cc1C(=O)Nc1cccc(c1)C#C
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| InChI |
InChI=1S/C23H25N3O5/c1-3-16-8-7-9-17(14-16)25-23(29)19-15-18(12-13-20(19)31-2)24-21(27)10-5-4-6-11-22(28)26-30/h1,7-9,12-15,30H,4-6,10-11H2,2H3,(H,24,27)(H,25,29)(H,26,28)
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| InChIKey |
YNFRPXYMFVUPCE-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