General Information of the Compound
| Compound ID |
CP0577518
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| Compound Name |
N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C18H20Cl2N2O2S
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| Molecular Weight |
399.343
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| Canonical SMILES |
Oc1c(Cl)cc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl
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| InChI |
InChI=1S/C18H20Cl2N2O2S/c19-13-4-12(5-14(20)15(13)23)21-17(25)22-16(24)18-6-9-1-10(7-18)3-11(2-9)8-18/h4-5,9-11,23H,1-3,6-8H2,(H2,21,22,24,25)
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| InChIKey |
UEKJKZCGDQUUPW-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