General Information of the Compound
| Compound ID |
CP0540780
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| Compound Name |
US10047092, 36
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| Structure |
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| Formula |
C18H15ClF3N5OS
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| Molecular Weight |
441.866
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1csc(C)n1
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| InChI |
InChI=1S/C18H15ClF3N5OS/c1-9-6-27-15(13-8-29-10(2)23-13)24-25-16(27)17(28)26(9)7-11-4-3-5-12(14(11)19)18(20,21)22/h3-5,8-9H,6-7H2,1-2H3/t9-/m0/s1
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| InChIKey |
LYPXELVPVRSISV-VIFPVBQESA-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