General Information of the Compound
| Compound ID |
CP0471787
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| Compound Name |
2-chloro-5,8-dimethoxy-3-piperidin-1-ylnaphthalene-1,4-dione
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| Structure |
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| Formula |
C17H18ClNO4
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| Molecular Weight |
335.787
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| Canonical SMILES |
COc1ccc(OC)c2C(=O)C(N3CCCCC3)=C(Cl)C(=O)c12
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| InChI |
InChI=1S/C17H18ClNO4/c1-22-10-6-7-11(23-2)13-12(10)16(20)14(18)15(17(13)21)19-8-4-3-5-9-19/h6-7H,3-5,8-9H2,1-2H3
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| InChIKey |
VNEXOZRHKKBKEC-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