General Information of the Compound
| Compound ID |
CP0401979
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| Compound Name |
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(3,5-difluorophenyl)furan-2-yl]methanone
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| Structure |
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| Formula |
C27H28ClF2N3O3
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| Molecular Weight |
515.988
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| Canonical SMILES |
Fc1cc(F)cc(c1)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
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| InChI |
InChI=1S/C27H28ClF2N3O3/c28-23-13-18(1-2-25(23)35-22-5-7-31-8-6-22)17-32-9-11-33(12-10-32)27(34)26-4-3-24(36-26)19-14-20(29)16-21(30)15-19/h1-4,13-16,22,31H,5-12,17H2
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| InChIKey |
DTTGIXZTOMYQLV-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