General Information of the Compound
| Compound ID |
CP0462702
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| Compound Name |
US10047092, 7
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| Structure |
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| Formula |
C17H15ClN6O3S
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| Molecular Weight |
418.866
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| Canonical SMILES |
CS(=O)(=O)c1cc(Cl)ccc1CN1CCn2c(nnc2-c2cnccn2)C1=O
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| InChI |
InChI=1S/C17H15ClN6O3S/c1-28(26,27)14-8-12(18)3-2-11(14)10-23-6-7-24-15(13-9-19-4-5-20-13)21-22-16(24)17(23)25/h2-5,8-9H,6-7,10H2,1H3
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| InChIKey |
IGHRBKUBISXRHR-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