General Information of the Compound
| Compound ID |
CP0550179
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| Compound Name |
N-(quinolin-8-ylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C18H13N3O3S
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| Molecular Weight |
351.387
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| Canonical SMILES |
O=C(NC(=S)Nc1cccc2cccnc12)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C18H13N3O3S/c22-17(12-6-7-14-15(9-12)24-10-23-14)21-18(25)20-13-5-1-3-11-4-2-8-19-16(11)13/h1-9H,10H2,(H2,20,21,22,25)
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| InChIKey |
RCRQGABLIRBSJX-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: PT02908, P2X purinoceptor 4
Protein ID: PT01449, P2X purinoceptor 7