General Information of the Compound
| Compound ID |
CP0405870
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| Compound Name |
2-[4-[[2-(1,3-benzodioxol-5-yl)-2-(6-carbamoyl-1-methylindol-3-yl)acetyl]sulfamoyl]phenyl]acetic acid
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| Structure |
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| Formula |
C27H23N3O8S
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| Molecular Weight |
549.561
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| Canonical SMILES |
Cn1cc(C(C(=O)NS(=O)(=O)c2ccc(CC(O)=O)cc2)c2ccc3OCOc3c2)c2ccc(cc12)C(N)=O
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| InChI |
InChI=1S/C27H23N3O8S/c1-30-13-20(19-8-4-17(26(28)33)11-21(19)30)25(16-5-9-22-23(12-16)38-14-37-22)27(34)29-39(35,36)18-6-2-15(3-7-18)10-24(31)32/h2-9,11-13,25H,10,14H2,1H3,(H2,28,33)(H,29,34)(H,31,32)
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| InChIKey |
IDINHRPVYGDPHV-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