General Information of the Compound
| Compound ID |
CP0388923
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| Compound Name |
US10053462, 47
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| Structure |
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| Formula |
C18H13Cl2FN6O
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| Molecular Weight |
419.247
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| Canonical SMILES |
Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cnccn4)n2C3)c(Cl)c1Cl
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| InChI |
InChI=1S/C18H13Cl2FN6O/c19-14-10(2-3-11(21)15(14)20)18(28)27-9-1-4-13(27)17-25-24-16(26(17)8-9)12-7-22-5-6-23-12/h2-3,5-7,9,13H,1,4,8H2/t9-,13+/m0/s1
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| InChIKey |
MCTLJXIJKPVBNL-TVQRCGJNSA-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