General Information of the Compound
| Compound ID |
CP0385144
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| Compound Name |
US10323032, Example 10
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| Structure |
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| Formula |
C19H16F3N5O
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| Molecular Weight |
387.365
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| Canonical SMILES |
Cc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)ncnc2-c1ccn[nH]1
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| InChI |
InChI=1S/C19H16F3N5O/c1-11-12(3-2-4-14(11)19(20,21)22)18(28)27-8-6-13-16(9-27)23-10-24-17(13)15-5-7-25-26-15/h2-5,7,10H,6,8-9H2,1H3,(H,25,26)
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| InChIKey |
HSTYOIFAPJGPSV-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