General Information of the Compound
| Compound ID |
CP0457552
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| Compound Name |
US10047092, 82
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| Structure |
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| Formula |
C18H17ClN6O3S
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| Molecular Weight |
432.893
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1ccc(Cl)cc1S(C)(=O)=O
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| InChI |
InChI=1S/C18H17ClN6O3S/c1-11-9-25-16(14-8-20-5-6-21-14)22-23-17(25)18(26)24(11)10-12-3-4-13(19)7-15(12)29(2,27)28/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
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| InChIKey |
ATLDCJPJUHCROC-NSHDSACASA-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