General Information of the Compound
| Compound ID |
CP0414577
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| Compound Name |
US10053462, 36
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| Structure |
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| Formula |
C19H15ClF3N5OS
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| Molecular Weight |
453.877
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| Canonical SMILES |
FC(F)(F)c1nccc(C(=O)N2[C@@H]3CCC[C@H]2c2nnc(-c4cccs4)n2C3)c1Cl
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| InChI |
InChI=1S/C19H15ClF3N5OS/c20-14-11(6-7-24-15(14)19(21,22)23)18(29)28-10-3-1-4-12(28)16-25-26-17(27(16)9-10)13-5-2-8-30-13/h2,5-8,10,12H,1,3-4,9H2/t10-,12+/m1/s1
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| InChIKey |
WDRCRSCGFCTTSL-PWSUYJOCSA-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