General Information of the Compound
| Compound ID |
CP0396423
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| Compound Name |
US10323032, Example 44
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| Structure |
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| Formula |
C19H14ClF3N4OS
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| Molecular Weight |
438.862
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| Canonical SMILES |
Cc1nc2CN(CCc2c(n1)-c1cscn1)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C19H14ClF3N4OS/c1-10-25-14-7-27(6-5-11(14)17(26-10)15-8-29-9-24-15)18(28)12-3-2-4-13(16(12)20)19(21,22)23/h2-4,8-9H,5-7H2,1H3
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| InChIKey |
BDYDASKAUVLPBS-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