General Information of the Compound
| Compound ID |
CP0504138
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| Compound Name |
2-[4-[4-(tert-butylcarbamoyl)-2-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]phenoxy]-5-chloro-2-fluorophenyl]acetic acid
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| Structure |
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| Formula |
C26H22Cl2F4N2O7S
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| Molecular Weight |
653.434
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)c1
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| InChI |
InChI=1S/C26H22Cl2F4N2O7S/c1-25(2,3)33-24(37)13-4-6-20(40-21-12-18(29)14(8-16(21)27)10-23(35)36)19(9-13)34-42(38,39)22-7-5-15(11-17(22)28)41-26(30,31)32/h4-9,11-12,34H,10H2,1-3H3,(H,33,37)(H,35,36)
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| InChIKey |
MHMBCAVCBHRSAH-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