General Information of the Compound
| Compound ID |
CP0385845
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| Compound Name |
US10323032, Example 14
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| Structure |
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| Formula |
C18H13Cl2N5O
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| Molecular Weight |
386.242
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| Canonical SMILES |
Clc1cccc(C(=O)N2CCc3c(C2)ncnc3-c2cnccn2)c1Cl
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| InChI |
InChI=1S/C18H13Cl2N5O/c19-13-3-1-2-12(16(13)20)18(26)25-7-4-11-15(9-25)23-10-24-17(11)14-8-21-5-6-22-14/h1-3,5-6,8,10H,4,7,9H2
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| InChIKey |
HWIQIOIKXDRQPK-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7