General Information of the Compound
| Compound ID |
CP0427143
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| Compound Name |
US10047092, 90
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| Structure |
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| Formula |
C17H14ClN7O3
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| Molecular Weight |
399.798
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cc(ccc1Cl)[N+]([O-])=O
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| InChI |
InChI=1S/C17H14ClN7O3/c1-10-8-24-15(14-7-19-4-5-20-14)21-22-16(24)17(26)23(10)9-11-6-12(25(27)28)2-3-13(11)18/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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| InChIKey |
FLFZSUBBSIJOJT-JTQLQIEISA-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