General Information of the Compound
| Compound ID |
CP0861478
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| Compound Name |
US9096596, 3
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| Structure |
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| Formula |
C21H20N6O
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| Molecular Weight |
372.432
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| Canonical SMILES |
Cc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1ccc(C#N)cc1C)C2
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| InChI |
InChI=1S/C21H20N6O/c1-12-8-15(10-22)4-5-16(12)21(28)27-11-19-17(9-13(27)2)20(25-14(3)24-19)18-6-7-23-26-18/h4-8,13H,9,11H2,1-3H3,(H,23,26)
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| InChIKey |
MXSJPQGXZYXZMY-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