General Information of the Compound
| Compound ID |
CP0445035
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| Compound Name |
US10112937, Example 242
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| Structure |
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| Formula |
C20H17Cl2FN4O
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| Molecular Weight |
419.287
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| Canonical SMILES |
CC1Cc2c(nnn2-c2ccc(F)cc2)C(C)N1C(=O)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C20H17Cl2FN4O/c1-11-10-17-19(24-25-27(17)14-8-6-13(23)7-9-14)12(2)26(11)20(28)15-4-3-5-16(21)18(15)22/h3-9,11-12H,10H2,1-2H3
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| InChIKey |
KMURBPZFLYXUNM-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7