General Information of the Compound
| Compound ID |
CP0476996
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| Compound Name |
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-ethylphenyl)furan-2-yl]methanone
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| Structure |
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| Formula |
C29H34ClN3O3
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| Molecular Weight |
508.062
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| Canonical SMILES |
CCc1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
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| InChI |
InChI=1S/C29H34ClN3O3/c1-2-22-5-3-4-6-24(22)26-9-10-28(36-26)29(34)33-17-15-32(16-18-33)20-21-7-8-27(25(30)19-21)35-23-11-13-31-14-12-23/h3-10,19,23,31H,2,11-18,20H2,1H3
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| InChIKey |
VPCJCGXEIVGIGH-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