General Information of the Compound
| Compound ID |
CP0013313
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| Compound Name |
N-(2-aminophenyl)-7-[[(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]heptanamide
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| Formula |
C22H27BrN4O4
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| Molecular Weight |
491.386
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| Canonical SMILES |
Nc1ccccc1NC(=O)CCCCCCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O
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| InChI |
InChI=1S/C22H27BrN4O4/c23-16-13-15(10-11-20(16)28)14-19(27-31)22(30)25-12-6-2-1-3-9-21(29)26-18-8-5-4-7-17(18)24/h4-5,7-8,10-11,13,28,31H,1-3,6,9,12,14,24H2,(H,25,30)(H,26,29)/b27-19+
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| InChIKey |
CMXYMOWDNOBGHN-ZXVVBBHZSA-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