General Information of the Compound
| Compound ID |
CP0459287
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| Compound Name |
Benzyl-{5-[1-(3,4-bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-pyridin-2-yl}-amine
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| Structure |
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| Formula |
C27H23F4N3O3
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| Molecular Weight |
513.491
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| Canonical SMILES |
[O-][n+]1ccc(CC(c2ccc(NCc3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
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| InChI |
InChI=1S/C27H23F4N3O3/c28-26(29)36-23-8-6-20(15-24(23)37-27(30)31)22(14-18-10-12-34(35)13-11-18)21-7-9-25(33-17-21)32-16-19-4-2-1-3-5-19/h1-13,15,17,22,26-27H,14,16H2,(H,32,33)
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| InChIKey |
CBGQPZWENDUDMW-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