General Information of the Compound
| Compound ID |
CP0014347
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| Compound Name |
N-(4-bromo-2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
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| Structure |
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| Formula |
C17H18BrFN4O2
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| Molecular Weight |
409.259
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| Canonical SMILES |
Fc1cc(Br)ccc1NC(=O)N1CCNCC1COc1cccnc1
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| InChI |
InChI=1S/C17H18BrFN4O2.ClH/c18-12-3-4-16(15(19)8-12)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H
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| InChIKey |
GGWDKUQZZHJDPZ-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