General Information of the Compound
| Compound ID |
CP0569920
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| Compound Name |
[4-[(4-bromo-2,6-difluorophenyl)methyl]piperazin-1-yl]-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-3-yl]methanone
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| Structure |
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| Formula |
C26H19BrF5N5O2
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| Molecular Weight |
608.365
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| Canonical SMILES |
Fc1cc(Br)cc(F)c1CN1CCN(CC1)C(=O)c1ccc(nc1)-c1nc(no1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H19BrF5N5O2/c27-18-11-20(28)19(21(29)12-18)14-36-7-9-37(10-8-36)25(38)16-3-6-22(33-13-16)24-34-23(35-39-24)15-1-4-17(5-2-15)26(30,31)32/h1-6,11-13H,7-10,14H2
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| InChIKey |
SNHZDPJAFKHXIO-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