General Information of the Compound
| Compound ID |
CP0424417
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| Compound Name |
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C28H34N4O3
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| Molecular Weight |
474.605
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| Canonical SMILES |
COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c(OC)c1
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| InChI |
InChI=1S/C28H34N4O3/c1-34-24-12-13-26(27(21-24)35-2)32-19-17-31(18-20-32)16-6-5-15-30-28(33)23-10-8-22(9-11-23)25-7-3-4-14-29-25/h3-4,7-14,21H,5-6,15-20H2,1-2H3,(H,30,33)
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| InChIKey |
KKVXRFAQMOVXOX-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