General Information of the Compound
| Compound ID |
CP0372242
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| Compound Name |
N-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-4-fluorobenzamide
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| Structure |
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| Formula |
C23H28FN3O3
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| Molecular Weight |
413.493
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1cccc2OCCOc12
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| InChI |
InChI=1S/C23H28FN3O3/c24-19-8-6-18(7-9-19)23(28)25-10-1-2-11-26-12-14-27(15-13-26)20-4-3-5-21-22(20)30-17-16-29-21/h3-9H,1-2,10-17H2,(H,25,28)
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| InChIKey |
FUJSCJDKCCXQSU-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