General Information of the Compound
| Compound ID |
CP0385693
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| Compound Name |
US10047092, 39
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| Structure |
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| Formula |
C19H17ClF3N5OS
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| Molecular Weight |
455.893
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1sc(C)nc1C
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| InChI |
InChI=1S/C19H17ClF3N5OS/c1-9-7-28-16(15-10(2)24-11(3)30-15)25-26-17(28)18(29)27(9)8-12-5-4-6-13(14(12)20)19(21,22)23/h4-6,9H,7-8H2,1-3H3/t9-/m0/s1
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| InChIKey |
KJYCSDWAIHUDNJ-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