General Information of the Compound
| Compound ID |
CP0540241
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| Compound Name |
2-[3-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
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| Structure |
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| Formula |
C27H18BrF8NO2
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| Molecular Weight |
620.334
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(c1)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H18BrF8NO2/c1-15-5-9-23(21-12-18(28)7-10-24(21)39-14-16-6-8-19(29)13-22(16)30)37(15)20-4-2-3-17(11-20)25(38,26(31,32)33)27(34,35)36/h2-13,38H,14H2,1H3
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| InChIKey |
JWBNPWWTNZXBID-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