General Information of the Compound
| Compound ID |
CP0445862
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| Compound Name |
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methanone
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| Structure |
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| Formula |
C28H29ClF3N3O3
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| Molecular Weight |
548.005
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| Canonical SMILES |
FC(F)(F)c1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
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| InChI |
InChI=1S/C28H29ClF3N3O3/c29-23-17-19(5-6-25(23)37-20-9-11-33-12-10-20)18-34-13-15-35(16-14-34)27(36)26-8-7-24(38-26)21-3-1-2-4-22(21)28(30,31)32/h1-8,17,20,33H,9-16,18H2
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| InChIKey |
LQJVMWHXBLGUFS-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