General Information of the Compound
| Compound ID |
CP0385776
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| Compound Name |
US10047092, 92
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| Structure |
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| Formula |
C18H18N6O
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| Molecular Weight |
334.383
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| Canonical SMILES |
CC(N1[C@@H](C)Cn2c(nnc2-c2cnccn2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C18H18N6O/c1-12-11-23-16(15-10-19-8-9-20-15)21-22-17(23)18(25)24(12)13(2)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3/t12-,13?/m0/s1
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| InChIKey |
ZFGBUFOUHWHLIY-UEWDXFNNSA-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