General Information of the Compound
| Compound ID |
CP0456469
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| Compound Name |
US10053462, 56
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| Structure |
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| Formula |
C19H15ClF3N5OS
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| Molecular Weight |
453.877
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| Canonical SMILES |
Cc1nc(cs1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C19H15ClF3N5OS/c1-9-24-13(8-30-9)16-25-26-17-14-6-5-10(7-27(16)17)28(14)18(29)11-3-2-4-12(15(11)20)19(21,22)23/h2-4,8,10,14H,5-7H2,1H3/t10-,14+/m0/s1
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| InChIKey |
JUMJDQUEHOPYEX-IINYFYTJSA-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