General Information of the Compound
| Compound ID |
CP0415327
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| Compound Name |
5-Isopropenyl-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C18H18N2O3S
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| Molecular Weight |
342.42
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| Canonical SMILES |
CC(=C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C18H18N2O3S/c1-11(2)14-7-5-9-16-15(14)8-6-10-17(16)24(21,22)20-18-12(3)13(4)19-23-18/h5-10,20H,1H2,2-4H3
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| InChIKey |
ZRRPWYSCRYJBJK-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: PT01372, Endothelin-1 receptor
Protein ID: PT01785, Endothelin-1 receptor