General Information of the Compound
| Compound ID |
CP0399060
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| Compound Name |
N-butyl-3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2-methoxy-4-(2H-tetrazol-5-ylmethyl)phenoxy]benzamide
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| Structure |
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| Formula |
C26H26Cl2N6O5S
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| Molecular Weight |
605.504
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| Canonical SMILES |
CCCCNC(=O)c1ccc(Oc2ccc(Cc3nnn[nH]3)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C26H26Cl2N6O5S/c1-3-4-11-29-26(35)17-6-9-21(20(14-17)32-40(36,37)24-10-7-18(27)15-19(24)28)39-22-8-5-16(12-23(22)38-2)13-25-30-33-34-31-25/h5-10,12,14-15,32H,3-4,11,13H2,1-2H3,(H,29,35)(H,30,31,33,34)
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| InChIKey |
RUZKBEROPVMYHR-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