General Information of the Compound
| Compound ID |
CP0435265
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| Compound Name |
4-chloro-N-[2,2-dichloro-1-[(Z)-[(cyanoamino)-[(2-methoxypyridin-3-yl)amino]methylidene]amino]propyl]benzamide
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| Structure |
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| Formula |
C18H17Cl3N6O2
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| Molecular Weight |
455.733
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| Canonical SMILES |
COc1ncccc1NC(NC(NC(=O)c1ccc(Cl)cc1)C(C)(Cl)Cl)=NC#N
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| InChI |
InChI=1S/C18H17Cl3N6O2/c1-18(20,21)16(26-14(28)11-5-7-12(19)8-6-11)27-17(24-10-22)25-13-4-3-9-23-15(13)29-2/h3-9,16H,1-2H3,(H,26,28)(H2,24,25,27)
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| InChIKey |
PCYQNSRPJFTODK-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7