General Information of the Compound
| Compound ID |
CP0510405
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| Compound Name |
4-Bromo-N-{4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl}benzamide
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| Structure |
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| Formula |
C23H30BrN3O3
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| Molecular Weight |
476.415
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| Canonical SMILES |
COc1ccc(N2CCN(CCCCNC(=O)c3ccc(Br)cc3)CC2)c(OC)c1
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| InChI |
InChI=1S/C23H30BrN3O3/c1-29-20-9-10-21(22(17-20)30-2)27-15-13-26(14-16-27)12-4-3-11-25-23(28)18-5-7-19(24)8-6-18/h5-10,17H,3-4,11-16H2,1-2H3,(H,25,28)
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| InChIKey |
WSOPSHVSBTVWGQ-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