General Information of the Compound
| Compound ID |
CP0540238
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| Compound Name |
2-[3-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]pyrimidine
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| Structure |
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| Formula |
C28H20BrF2N3O
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| Molecular Weight |
532.388
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(c1)-c1ncccn1
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| InChI |
InChI=1S/C28H20BrF2N3O/c1-18-6-10-26(34(18)23-5-2-4-19(14-23)28-32-12-3-13-33-28)24-15-21(29)8-11-27(24)35-17-20-7-9-22(30)16-25(20)31/h2-16H,17H2,1H3
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| InChIKey |
HTBFGWKMWIWWAC-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