General Information of the Compound
| Compound ID |
CP0442023
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| Compound Name |
2'-[(Isobutyl-methyl-amino)-methyl]-4'-oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C26H30N4O4S
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| Molecular Weight |
494.617
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| Canonical SMILES |
CC(C)CN(C)Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1
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| InChI |
InChI=1S/C26H30N4O4S/c1-17(2)15-30(5)16-21-14-20(26-27-12-13-33-26)10-11-22(21)23-8-6-7-9-24(23)35(31,32)29-25-18(3)19(4)28-34-25/h6-14,17,29H,15-16H2,1-5H3
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| InChIKey |
KFYGWINTMGEMTO-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: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor