General Information of the Compound
| Compound ID |
CP0468873
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| Compound Name |
US10112937, Example 74
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| Structure |
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| Formula |
C18H14ClF3N6O
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| Molecular Weight |
422.798
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| Canonical SMILES |
C[C@H]1N(CCc2c1nnn2-c1cnccn1)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C18H14ClF3N6O/c1-10-16-13(28(26-25-16)14-9-23-6-7-24-14)5-8-27(10)17(29)11-3-2-4-12(15(11)19)18(20,21)22/h2-4,6-7,9-10H,5,8H2,1H3/t10-/m1/s1
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| InChIKey |
DUWZDSOVDZWSMF-SNVBAGLBSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2