General Information of the Compound
| Compound ID |
CP0395038
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| Compound Name |
US10047092, 49
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| Structure |
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| Formula |
C18H18ClF3N4O
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| Molecular Weight |
398.816
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)C1CCC1
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| InChI |
InChI=1S/C18H18ClF3N4O/c1-10-8-26-15(11-4-2-5-11)23-24-16(26)17(27)25(10)9-12-6-3-7-13(14(12)19)18(20,21)22/h3,6-7,10-11H,2,4-5,8-9H2,1H3/t10-/m0/s1
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| InChIKey |
VZJNZYSWHOMIAD-JTQLQIEISA-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