General Information of the Compound
| Compound ID |
CP0416811
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| Compound Name |
N-[3-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]-4-hydroxyphenyl]-N'-hydroxyheptanediamide
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| Structure |
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| Formula |
C27H27ClFN3O6
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| Molecular Weight |
543.979
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| Canonical SMILES |
ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
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| InChI |
InChI=1S/C27H27ClFN3O6/c28-22-15-20(10-12-24(22)38-16-17-5-4-6-18(29)13-17)31-27(36)21-14-19(9-11-23(21)33)30-25(34)7-2-1-3-8-26(35)32-37/h4-6,9-15,33,37H,1-3,7-8,16H2,(H,30,34)(H,31,36)(H,32,35)
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| InChIKey |
XNOIFDCPFCQXAN-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