General Information of the Compound
| Compound ID |
CP0470123
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| Compound Name |
US10047092, 51
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| Structure |
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| Formula |
C20H22ClF3N4O
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| Molecular Weight |
426.87
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)C1CCCCC1
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| InChI |
InChI=1S/C20H22ClF3N4O/c1-12-10-28-17(13-6-3-2-4-7-13)25-26-18(28)19(29)27(12)11-14-8-5-9-15(16(14)21)20(22,23)24/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3/t12-/m0/s1
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| InChIKey |
MEGNSTMJDPJPEN-LBPRGKRZSA-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