General Information of the Compound
| Compound ID |
CP0389387
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| Compound Name |
US10053462, 57
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| Structure |
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| Formula |
C18H13ClF3N5OS
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| Molecular Weight |
439.85
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| Canonical SMILES |
FC(F)(F)c1cccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cncs4)n2C3)c1Cl
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| InChI |
InChI=1S/C18H13ClF3N5OS/c19-14-10(2-1-3-11(14)18(20,21)22)17(28)27-9-4-5-12(27)15-24-25-16(26(15)7-9)13-6-23-8-29-13/h1-3,6,8-9,12H,4-5,7H2/t9-,12+/m0/s1
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| InChIKey |
SRAOTGOKXLOEDC-JOYOIKCWSA-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