General Information of the Compound
| Compound ID |
CP0476037
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| Compound Name |
5-Dimethylaminomethyl-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C18H21N3O3S
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| Molecular Weight |
359.451
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| Canonical SMILES |
CN(C)Cc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C18H21N3O3S/c1-12-13(2)19-24-18(12)20-25(22,23)17-10-6-8-15-14(11-21(3)4)7-5-9-16(15)17/h5-10,20H,11H2,1-4H3
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| InChIKey |
LDGOBRDRWRXUKR-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