General Information of the Compound
| Compound ID |
CP0476952
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| Compound Name |
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-iodo-phenyl)-amide
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| Structure |
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| Formula |
C16H16ClIN4O
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| Molecular Weight |
442.688
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| Canonical SMILES |
Clc1cccnc1N1CCN(CC1)C(=O)Nc1ccc(I)cc1
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| InChI |
InChI=1S/C16H16ClIN4O/c17-14-2-1-7-19-15(14)21-8-10-22(11-9-21)16(23)20-13-5-3-12(18)4-6-13/h1-7H,8-11H2,(H,20,23)
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| InChIKey |
OQKQGBVFOXQEHM-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