General Information of the Compound
| Compound ID |
CP0008251
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| Compound Name |
N-(2-aminophenyl)-4-[[(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]butanamide
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| Formula |
C19H21BrN4O4
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| Molecular Weight |
449.305
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| Canonical SMILES |
Nc1ccccc1NC(=O)CCCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O
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| InChI |
InChI=1S/C19H21BrN4O4/c20-13-10-12(7-8-17(13)25)11-16(24-28)19(27)22-9-3-6-18(26)23-15-5-2-1-4-14(15)21/h1-2,4-5,7-8,10,25,28H,3,6,9,11,21H2,(H,22,27)(H,23,26)/b24-16+
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| InChIKey |
DTYFUDJQBIEZCX-LFVJCYFKSA-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