General Information of the Compound
| Compound ID |
CP0544786
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| Compound Name |
US10323032, Example 8
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| Structure |
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| Formula |
C18H16ClN5O
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| Molecular Weight |
353.813
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| Canonical SMILES |
Cc1cccc(C(=O)N2CCc3c(C2)ncnc3-c2ccn[nH]2)c1Cl
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| InChI |
InChI=1S/C18H16ClN5O/c1-11-3-2-4-13(16(11)19)18(25)24-8-6-12-15(9-24)20-10-21-17(12)14-5-7-22-23-14/h2-5,7,10H,6,8-9H2,1H3,(H,22,23)
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| InChIKey |
VXLFFDSOBFZVRB-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