General Information of the Compound
| Compound ID |
CP0571691
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| Compound Name |
N-[(2-bromo-4-propan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C18H17BrN2O3S
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| Molecular Weight |
421.316
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| Canonical SMILES |
CC(C)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)c(Br)c1
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| InChI |
InChI=1S/C18H17BrN2O3S/c1-10(2)11-3-5-14(13(19)7-11)20-18(25)21-17(22)12-4-6-15-16(8-12)24-9-23-15/h3-8,10H,9H2,1-2H3,(H2,20,21,22,25)
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| InChIKey |
BGCLFLOPHUTOJE-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