General Information of the Compound
| Compound ID |
CP0375684
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| Compound Name |
US10053462, 1
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| Structure |
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| Formula |
C20H16ClF3N6O
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| Molecular Weight |
448.836
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| Canonical SMILES |
FC(F)(F)c1cccc(C(=O)N2C3CCCC2c2nnc(-c4ncccn4)n2C3)c1Cl
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| InChI |
InChI=1S/C20H16ClF3N6O/c21-15-12(5-2-6-13(15)20(22,23)24)19(31)30-11-4-1-7-14(30)17-27-28-18(29(17)10-11)16-25-8-3-9-26-16/h2-3,5-6,8-9,11,14H,1,4,7,10H2
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| InChIKey |
FCWVNMGJKGGYLS-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