General Information of the Compound
| Compound ID |
CP0404710
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| Compound Name |
4-(4-((1H-tetrazol-5-yl)methyl)phenoxy)-3-(2,4-dichlorophenylsulfonamido)-N-ethylbenzamide
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| Structure |
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| Formula |
C23H20Cl2N6O4S
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| Molecular Weight |
547.424
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| Canonical SMILES |
CCNC(=O)c1ccc(Oc2ccc(Cc3nnn[nH]3)cc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C23H20Cl2N6O4S/c1-2-26-23(32)15-5-9-20(35-17-7-3-14(4-8-17)11-22-27-30-31-28-22)19(12-15)29-36(33,34)21-10-6-16(24)13-18(21)25/h3-10,12-13,29H,2,11H2,1H3,(H,26,32)(H,27,28,30,31)
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| InChIKey |
KTHUNWJBUYRSPB-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