General Information of the Compound
| Compound ID |
CP0456513
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| Compound Name |
US10047092, 24
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| Structure |
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| Formula |
C18H16ClF3N6O
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| Molecular Weight |
424.814
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cnn(C)c1
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| InChI |
InChI=1S/C18H16ClF3N6O/c1-10-7-28-15(12-6-23-26(2)8-12)24-25-16(28)17(29)27(10)9-11-4-3-5-13(14(11)19)18(20,21)22/h3-6,8,10H,7,9H2,1-2H3/t10-/m0/s1
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| InChIKey |
ISYZICSLWWZOAG-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