General Information of the Compound
| Compound ID |
CP0852696
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| Compound Name |
US9096596, 87
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| Structure |
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| Formula |
C19H17ClFN5O
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| Molecular Weight |
385.83
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| Canonical SMILES |
Cc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1ccc(Cl)cc1F)C2
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| InChI |
InChI=1S/C19H17ClFN5O/c1-10-7-14-17(23-11(2)24-18(14)16-5-6-22-25-16)9-26(10)19(27)13-4-3-12(20)8-15(13)21/h3-6,8,10H,7,9H2,1-2H3,(H,22,25)
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| InChIKey |
RIHFXPVSNMFQDR-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