General Information of the Compound
| Compound ID |
CP0417435
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| Compound Name |
4-chloro-N-[2,2-dichloro-1-[[(cyanoamino)-[(2,6-dimethoxypyridin-3-yl)amino]methylidene]amino]propyl]benzamide
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| Structure |
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| Formula |
C19H19Cl3N6O3
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| Molecular Weight |
485.759
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| Canonical SMILES |
COc1ccc(NC(NC(NC(=O)c2ccc(Cl)cc2)C(C)(Cl)Cl)=NC#N)c(OC)n1
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| InChI |
InChI=1S/C19H19Cl3N6O3/c1-19(21,22)17(27-15(29)11-4-6-12(20)7-5-11)28-18(24-10-23)25-13-8-9-14(30-2)26-16(13)31-3/h4-9,17H,1-3H3,(H,27,29)(H2,24,25,28)
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| InChIKey |
VCIHCHCVZXYFHQ-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7