General Information of the Compound
| Compound ID |
CP0537424
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| Compound Name |
US10112937, Example 27
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| Structure |
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| Formula |
C22H19Cl2N3O3
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| Molecular Weight |
444.318
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| Canonical SMILES |
CCOC(=O)C1N(CCc2c1ncn2-c1ccccc1)C(=O)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C22H19Cl2N3O3/c1-2-30-22(29)20-19-17(27(13-25-19)14-7-4-3-5-8-14)11-12-26(20)21(28)15-9-6-10-16(23)18(15)24/h3-10,13,20H,2,11-12H2,1H3
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| InChIKey |
WSQUUPXORCPRSA-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