General Information of the Compound
| Compound ID |
CP0519265
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| Compound Name |
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(3,4-dimethoxyphenyl)furan-2-yl]methanone
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| Structure |
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| Formula |
C29H34ClN3O5
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| Molecular Weight |
540.06
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| Canonical SMILES |
COc1ccc(cc1OC)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
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| InChI |
InChI=1S/C29H34ClN3O5/c1-35-26-6-4-21(18-28(26)36-2)24-7-8-27(38-24)29(34)33-15-13-32(14-16-33)19-20-3-5-25(23(30)17-20)37-22-9-11-31-12-10-22/h3-8,17-18,22,31H,9-16,19H2,1-2H3
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| InChIKey |
HUDLHXYNACPDGC-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