General Information of the Compound
| Compound ID |
CP0093940
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| Compound Name |
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(2,4-difluorophenyl)-ethyl]piperazin-1-yl}methanone
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| Structure |
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| Formula |
C17H19BrF2N4O
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| Molecular Weight |
413.266
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| Canonical SMILES |
Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C17H19BrF2N4O/c1-22-11-14(18)16(21-22)17(25)24-8-6-23(7-9-24)5-4-12-2-3-13(19)10-15(12)20/h2-3,10-11H,4-9H2,1H3
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| InChIKey |
AIIXEXZEELKXDV-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