General Information of the Compound
| Compound ID |
CP0578532
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| Compound Name |
N-[(2-bromo-4-methylphenyl)carbamothioyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C19H23BrN2OS
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| Molecular Weight |
407.377
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| Canonical SMILES |
Cc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1
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| InChI |
InChI=1S/C19H23BrN2OS/c1-11-2-3-16(15(20)4-11)21-18(24)22-17(23)19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-10H2,1H3,(H2,21,22,23,24)
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| InChIKey |
YTLBMCWFPSKSTC-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: PT03949, P2X purinoceptor 5
Protein ID: PT01449, P2X purinoceptor 7