General Information of the Compound
| Compound ID |
CP0466130
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| Compound Name |
US10112937, Example 327
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| Structure |
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| Formula |
C20H16ClF3N4O
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| Molecular Weight |
420.822
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| Canonical SMILES |
Cn1nc2CN(CCc2c1-c1ccncc1)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C20H16ClF3N4O/c1-27-18(12-5-8-25-9-6-12)13-7-10-28(11-16(13)26-27)19(29)14-3-2-4-15(17(14)21)20(22,23)24/h2-6,8-9H,7,10-11H2,1H3
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| InChIKey |
NBBMQMOBCCQIDF-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