General Information of the Compound
| Compound ID |
CP0003922
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| Compound Name |
11-chloropaullone
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| Structure |
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| Formula |
C16H11ClN2O
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| Molecular Weight |
282.73
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| Canonical SMILES |
Clc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
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| InChI |
InChI=1S/C16H11ClN2O/c17-12-6-3-5-9-11-8-14(20)18-13-7-2-1-4-10(13)15(11)19-16(9)12/h1-7,19H,8H2,(H,18,20)
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| InChIKey |
YMOAQWGMJDGOCD-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