General Information of the Compound
| Compound ID |
CP0452868
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| Compound Name |
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]oxane-4-carboxamide
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| Structure |
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| Formula |
C23H26ClN3O3
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| Molecular Weight |
427.932
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| Canonical SMILES |
Clc1cc(NC(=O)C2CCOCC2)ccc1N1CCN(CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C23H26ClN3O3/c24-20-16-19(25-22(28)17-8-14-30-15-9-17)6-7-21(20)26-10-12-27(13-11-26)23(29)18-4-2-1-3-5-18/h1-7,16-17H,8-15H2,(H,25,28)
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| InChIKey |
HRQNZHYSGCIOJM-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