General Information of the Compound
| Compound ID |
CP0473675
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| Compound Name |
4-chloro-N-[2,2-dichloro-1-[[[(2-chloropyridin-3-yl)amino]-(cyanoamino)methylidene]amino]propyl]benzamide
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| Structure |
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| Formula |
C17H14Cl4N6O
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| Molecular Weight |
460.152
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| Canonical SMILES |
CC(Cl)(Cl)C(NC(Nc1cccnc1Cl)=NC#N)NC(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H14Cl4N6O/c1-17(20,21)15(26-14(28)10-4-6-11(18)7-5-10)27-16(24-9-22)25-12-3-2-8-23-13(12)19/h2-8,15H,1H3,(H,26,28)(H2,24,25,27)
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| InChIKey |
CYJNNAUMOWSXGY-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
Protein ID: PT06097, ATP-sensitive inward rectifier potassium channel 11
Protein ID: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7