General Information of the Compound
| Compound ID |
CP0383444
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| Compound Name |
3-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]naphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C29H20BrF2NO3
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| Molecular Weight |
548.383
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cc(C(O)=O)c2ccccc2c1
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| InChI |
InChI=1S/C29H20BrF2NO3/c1-17-6-10-27(33(17)22-12-18-4-2-3-5-23(18)24(15-22)29(34)35)25-13-20(30)8-11-28(25)36-16-19-7-9-21(31)14-26(19)32/h2-15H,16H2,1H3,(H,34,35)
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| InChIKey |
VOUHHWQIIIFWKB-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