General Information of the Compound
| Compound ID |
CP0431000
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| Compound Name |
4-Nitro-N-{4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl}benzamide
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| Structure |
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| Formula |
C23H30N4O5
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| Molecular Weight |
442.516
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| Canonical SMILES |
COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)[N+]([O-])=O)CC2)c(OC)c1
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| InChI |
InChI=1S/C23H30N4O5/c1-31-20-9-10-21(22(17-20)32-2)26-15-13-25(14-16-26)12-4-3-11-24-23(28)18-5-7-19(8-6-18)27(29)30/h5-10,17H,3-4,11-16H2,1-2H3,(H,24,28)
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| InChIKey |
MHWHIBSVOPCJKK-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