General Information of the Compound
| Compound ID |
CP0038700
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| Compound Name |
6-[3-(4-phenylacetylamino-benzoyl)-ureido]-hexanoic acid hydroxyamide
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| Structure |
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| Formula |
C22H26N4O5
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| Molecular Weight |
426.473
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| Canonical SMILES |
ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C22H26N4O5/c27-19(26-31)9-5-2-6-14-23-22(30)25-21(29)17-10-12-18(13-11-17)24-20(28)15-16-7-3-1-4-8-16/h1,3-4,7-8,10-13,31H,2,5-6,9,14-15H2,(H,24,28)(H,26,27)(H2,23,25,29,30)
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| InChIKey |
NDMLEXAVXKGATA-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