General Information of the Compound
| Compound ID |
CP0487012
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| Compound Name |
US10053462, 54
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| Structure |
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| Formula |
C17H12Cl2FN5OS
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| Molecular Weight |
424.288
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| Canonical SMILES |
Fc1c(Cl)ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c1Cl
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| InChI |
InChI=1S/C17H12Cl2FN5OS/c18-10-3-2-9(13(19)14(10)20)17(26)25-8-1-4-12(25)16-23-22-15(24(16)5-8)11-6-27-7-21-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1
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| InChIKey |
LEXDKUWFGJVJTC-QPUJVOFHSA-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