General Information of the Compound
| Compound ID |
CP0441474
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| Compound Name |
2'-Chlorobiphenyl-4-carboxylic acid{4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl}-amide
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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 |
COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3Cl)CC2)c(OC)c1
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| InChI |
InChI=1S/C29H34ClN3O3/c1-35-24-13-14-27(28(21-24)36-2)33-19-17-32(18-20-33)16-6-5-15-31-29(34)23-11-9-22(10-12-23)25-7-3-4-8-26(25)30/h3-4,7-14,21H,5-6,15-20H2,1-2H3,(H,31,34)
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| InChIKey |
KJMFPCFBWFNCEJ-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