General Information of the Compound
| Compound ID |
CP0403515
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| Compound Name |
1-[4-[4-(butylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]-3-methoxyphenyl]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C28H28Cl2N2O7S
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| Molecular Weight |
607.512
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| Canonical SMILES |
CCCCNC(=O)c1ccc(Oc2ccc(cc2OC)C2(CC2)C(O)=O)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C28H28Cl2N2O7S/c1-3-4-13-31-26(33)17-5-8-22(21(14-17)32-40(36,37)25-10-7-19(29)16-20(25)30)39-23-9-6-18(15-24(23)38-2)28(11-12-28)27(34)35/h5-10,14-16,32H,3-4,11-13H2,1-2H3,(H,31,33)(H,34,35)
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| InChIKey |
MQKUTZRTCAYVKH-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