General Information of the Compound
| Compound ID |
CP0403042
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| Compound Name |
US10047092, 70
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| Structure |
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| Formula |
C20H15ClF4N6O
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| Molecular Weight |
466.826
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| Canonical SMILES |
Fc1cnc(nc1)-c1nnc2C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C(Cn12)C1CC1
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| InChI |
InChI=1S/C20H15ClF4N6O/c21-15-11(2-1-3-13(15)20(23,24)25)8-30-14(10-4-5-10)9-31-17(28-29-18(31)19(30)32)16-26-6-12(22)7-27-16/h1-3,6-7,10,14H,4-5,8-9H2
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| InChIKey |
IZKPFCKAFKWGNQ-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