General Information of the Compound
| Compound ID |
CP0523251
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| Compound Name |
2-(4-chlorophenyl)-N-[1-[[(cyanoamino)-(2-methylanilino)methylidene]amino]-2,2-dimethylpropyl]acetamide
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| Structure |
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| Formula |
C22H26ClN5O
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| Molecular Weight |
411.937
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| Canonical SMILES |
Cc1ccccc1NC(NC#N)=NC(NC(=O)Cc1ccc(Cl)cc1)C(C)(C)C
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| InChI |
InChI=1S/C22H26ClN5O/c1-15-7-5-6-8-18(15)26-21(25-14-24)28-20(22(2,3)4)27-19(29)13-16-9-11-17(23)12-10-16/h5-12,20H,13H2,1-4H3,(H,27,29)(H2,25,26,28)
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| InChIKey |
DIGAKFCCTOUXSA-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