General Information of the Compound
| Compound ID |
CP0080722
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| Compound Name |
5-[2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]ethyl]-2,1,3-benzoxadiazole
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| Structure |
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| Formula |
C20H23N5O3
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| Molecular Weight |
381.436
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc4[n-][o+]nc4c3)CC2)cc1
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| InChI |
InChI=1S/C20H23N5O3/c26-25(27)18-4-1-16(2-5-18)7-9-23-11-13-24(14-12-23)10-8-17-3-6-19-20(15-17)22-28-21-19/h1-6,15H,7-14H2
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| InChIKey |
SEWIXNYQXNASBQ-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