General Information of the Compound
| Compound ID |
CP0462925
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| Compound Name |
4-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-N-tert-butylbenzamide
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| Structure |
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| Formula |
C29H27BrF2N2O2
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| Molecular Weight |
553.447
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc(cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C29H27BrF2N2O2/c1-18-5-13-26(34(18)23-11-7-19(8-12-23)28(35)33-29(2,3)4)24-15-21(30)9-14-27(24)36-17-20-6-10-22(31)16-25(20)32/h5-16H,17H2,1-4H3,(H,33,35)
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| InChIKey |
FZCGTPFWWXXPLT-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