General Information of the Compound
| Compound ID |
CP0492274
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| Compound Name |
Biphenyl-4-carboxylic acid{4-[4-(2,4-dimethoxyphenyl)-piperazin-1-yl]-butyl}amide
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| Structure |
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| Formula |
C29H35N3O3
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| Molecular Weight |
473.617
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| Canonical SMILES |
COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)CC2)c(OC)c1
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| InChI |
InChI=1S/C29H35N3O3/c1-34-26-14-15-27(28(22-26)35-2)32-20-18-31(19-21-32)17-7-6-16-30-29(33)25-12-10-24(11-13-25)23-8-4-3-5-9-23/h3-5,8-15,22H,6-7,16-21H2,1-2H3,(H,30,33)
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| InChIKey |
MVSROBKUXHYXAP-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