General Information of the Compound
| Compound ID |
CP0548002
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| Compound Name |
4-methoxy-N-(pyridin-4-ylmethyl)-N-[[3-[2-[3-(trifluoromethyl)phenyl]ethoxy]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C30H27F3N2O3
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| Molecular Weight |
520.551
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C30H27F3N2O3/c1-37-27-10-8-25(9-11-27)29(36)35(20-23-12-15-34-16-13-23)21-24-5-3-7-28(19-24)38-17-14-22-4-2-6-26(18-22)30(31,32)33/h2-13,15-16,18-19H,14,17,20-21H2,1H3
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| InChIKey |
YOIFIQJLCUULOU-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