General Information of the Compound
| Compound ID |
CP0451505
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| Compound Name |
N-[[3-[2-(4-bromophenyl)ethoxy]phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
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| Structure |
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| Formula |
C29H27BrN2O3
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| Molecular Weight |
531.45
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(Br)cc2)c1
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| InChI |
InChI=1S/C29H27BrN2O3/c1-34-27-11-7-25(8-12-27)29(33)32(20-23-13-16-31-17-14-23)21-24-3-2-4-28(19-24)35-18-15-22-5-9-26(30)10-6-22/h2-14,16-17,19H,15,18,20-21H2,1H3
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| InChIKey |
AQFNIDGAEDENIM-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