General Information of the Compound
| Compound ID |
CP0545516
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| Compound Name |
7-nitro-9-piperidin-1-yl-1,2,3,4-tetrahydroacridine
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| Structure |
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| Formula |
C18H21N3O2
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| Molecular Weight |
311.385
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc3CCCCc3c(N3CCCCC3)c2c1
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| InChI |
InChI=1S/C18H21N3O2/c22-21(23)13-8-9-17-15(12-13)18(20-10-4-1-5-11-20)14-6-2-3-7-16(14)19-17/h8-9,12H,1-7,10-11H2
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| InChIKey |
PXAAXYLLOLXDGK-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