General Information of the Compound
| Compound ID |
CP0564477
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| Compound Name |
N-[(2-chloropyridin-3-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C14H10ClN3O3S
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| Molecular Weight |
335.772
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| Canonical SMILES |
Clc1ncccc1NC(=S)NC(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C14H10ClN3O3S/c15-12-9(2-1-5-16-12)17-14(22)18-13(19)8-3-4-10-11(6-8)21-7-20-10/h1-6H,7H2,(H2,17,18,19,22)
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| InChIKey |
DYJDDJVVVMHYEH-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: PT04148, P2X purinoceptor 2
Protein ID: PT02908, P2X purinoceptor 4
Protein ID: PT01449, P2X purinoceptor 7