General Information of the Compound
| Compound ID |
CP0507336
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| Compound Name |
US10112937, Example 303
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| Structure |
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| Formula |
C25H28ClF4N5O2Si
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| Molecular Weight |
570.063
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| Canonical SMILES |
CC1N(CCc2c1nn(COCC[Si](C)(C)C)c2-c1ncc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C25H28ClF4N5O2Si/c1-15-21-18(8-9-34(15)24(36)17-6-5-7-19(20(17)26)25(28,29)30)22(23-31-12-16(27)13-32-23)35(33-21)14-37-10-11-38(2,3)4/h5-7,12-13,15H,8-11,14H2,1-4H3
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| InChIKey |
MZOCVJUFWCARCX-UHFFFAOYSA-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7