General Information of the Compound
| Compound ID |
CP0447443
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| Compound Name |
US10112937, Example 218
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| Structure |
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| Formula |
C17H12Cl2F2N6O
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| Molecular Weight |
425.226
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| Canonical SMILES |
C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)c(F)c1Cl)nnn2-c1ncc(F)cn1
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| InChI |
InChI=1S/C17H12Cl2F2N6O/c1-8-4-13-12(24-25-27(13)17-22-5-9(20)6-23-17)7-26(8)16(28)10-2-3-11(18)15(21)14(10)19/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1
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| InChIKey |
CNHAYJAGGMXLMZ-QMMMGPOBSA-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