General Information of the Compound
| Compound ID |
CP0440874
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| Compound Name |
2-[4-[[2-cyano-4-[(2,4-dichlorophenyl)sulfonylamino]-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C24H17Cl2N3O6S
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| Molecular Weight |
546.388
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| Canonical SMILES |
COc1cc(CC(O)=O)ccc1Oc1ccc2[nH]c(cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl)C#N
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| InChI |
InChI=1S/C24H17Cl2N3O6S/c1-34-21-8-13(9-23(30)31)2-5-19(21)35-20-6-4-18-16(11-15(12-27)28-18)24(20)29-36(32,33)22-7-3-14(25)10-17(22)26/h2-8,10-11,28-29H,9H2,1H3,(H,30,31)
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| InChIKey |
VTHNJTYEXNUZAR-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2