General Information of the Compound
| Compound ID |
CP0440539
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| Compound Name |
US10323032, Example 20
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| Structure |
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| Formula |
C17H12Cl2FN5O
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| Molecular Weight |
392.221
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| Canonical SMILES |
Fc1c(Cl)ccc(C(=O)N2CCc3c(C2)ncnc3-c2ccn[nH]2)c1Cl
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| InChI |
InChI=1S/C17H12Cl2FN5O/c18-11-2-1-10(14(19)15(11)20)17(26)25-6-4-9-13(7-25)21-8-22-16(9)12-3-5-23-24-12/h1-3,5,8H,4,6-7H2,(H,23,24)
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| InChIKey |
QBRRYFWGWAUOCV-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