General Information of the Compound
| Compound ID |
CP0388932
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| Compound Name |
US10323032, Example 39
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| Structure |
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| Formula |
C20H14ClF6N5O
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| Molecular Weight |
489.807
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| Canonical SMILES |
Cc1nc2CN(CCc2c(n1)-c1[nH]ncc1C(F)(F)F)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C20H14ClF6N5O/c1-9-29-14-8-32(18(33)11-3-2-4-12(15(11)21)19(22,23)24)6-5-10(14)16(30-9)17-13(7-28-31-17)20(25,26)27/h2-4,7H,5-6,8H2,1H3,(H,28,31)
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| InChIKey |
JSBZKBSMSFCJFY-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