General Information of the Compound
| Compound ID |
CP0852359
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| Compound Name |
US9096596, 135
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| Structure |
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| Formula |
C20H20FN5O
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| Molecular Weight |
365.412
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| Canonical SMILES |
Cc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1cccc(C)c1F)C2
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| InChI |
InChI=1S/C20H20FN5O/c1-11-5-4-6-14(18(11)21)20(27)26-10-17-15(9-12(26)2)19(24-13(3)23-17)16-7-8-22-25-16/h4-8,12H,9-10H2,1-3H3,(H,22,25)
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| InChIKey |
ZMCAHKXMGNKFCX-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