General Information of the Compound
| Compound ID |
CP0467305
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| Compound Name |
N-[1-[[(cyanoamino)-[(2-methylpyridin-3-yl)amino]methylidene]amino]-2,2-dimethylpropyl]-2-(3-fluoro-4-methylphenyl)acetamide
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| Structure |
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| Formula |
C22H27FN6O
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| Molecular Weight |
410.497
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| Canonical SMILES |
Cc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccnc2C)C(C)(C)C)cc1F
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| InChI |
InChI=1S/C22H27FN6O/c1-14-8-9-16(11-17(14)23)12-19(30)28-20(22(3,4)5)29-21(26-13-24)27-18-7-6-10-25-15(18)2/h6-11,20H,12H2,1-5H3,(H,28,30)(H2,26,27,29)
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| InChIKey |
PDFSIEQIRAVVQK-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7