General Information of the Compound
| Compound ID |
CP0382526
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| Compound Name |
US10323032, Example 38
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| Structure |
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| Formula |
C17H12Cl2N4OS
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| Molecular Weight |
391.283
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| Canonical SMILES |
Clc1cccc(C(=O)N2CCc3c(C2)ncnc3-c2nccs2)c1Cl
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| InChI |
InChI=1S/C17H12Cl2N4OS/c18-12-3-1-2-11(14(12)19)17(24)23-6-4-10-13(8-23)21-9-22-15(10)16-20-5-7-25-16/h1-3,5,7,9H,4,6,8H2
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| InChIKey |
WWKIYKPWNKOBLW-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