General Information of the Compound
| Compound ID |
CP0417433
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| Compound Name |
N-[2,2-dichloro-1-[[(cyanoamino)-[(2-methoxypyridin-3-yl)amino]methylidene]amino]propyl]-2-(3,4-dimethoxyphenyl)acetamide
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| Structure |
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| Formula |
C21H24Cl2N6O4
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| Molecular Weight |
495.367
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| Canonical SMILES |
COc1ccc(CC(=O)NC(NC(Nc2cccnc2OC)=NC#N)C(C)(Cl)Cl)cc1OC
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| InChI |
InChI=1S/C21H24Cl2N6O4/c1-21(22,23)19(28-17(30)11-13-7-8-15(31-2)16(10-13)32-3)29-20(26-12-24)27-14-6-5-9-25-18(14)33-4/h5-10,19H,11H2,1-4H3,(H,28,30)(H2,26,27,29)
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| InChIKey |
ORBQRCOUYGUISE-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