General Information of the Compound
| Compound ID |
CP0495275
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| Compound Name |
US10150765, Example 42
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| Structure |
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| Formula |
C20H16F4N4O
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| Molecular Weight |
404.367
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| Canonical SMILES |
C[C@H]1N(CCc2c1ncn2-c1ccccn1)C(=O)c1cccc(c1F)C(F)(F)F
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| InChI |
InChI=1S/C20H16F4N4O/c1-12-18-15(28(11-26-18)16-7-2-3-9-25-16)8-10-27(12)19(29)13-5-4-6-14(17(13)21)20(22,23)24/h2-7,9,11-12H,8,10H2,1H3/t12-/m1/s1
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| InChIKey |
GBQXOGRJGKMVTD-GFCCVEGCSA-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