General Information of the Compound
| Compound ID |
CP0387920
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| Compound Name |
2-[4-chloro-3-[[2,6-dimethyl-4-[[(3R)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]benzoyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C27H26ClNO5
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| Molecular Weight |
479.96
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| Canonical SMILES |
Cc1ccc2OC[C@@H](COc3cc(C)c(C(=O)Nc4cc(CC(O)=O)ccc4Cl)c(C)c3)c2c1
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| InChI |
InChI=1S/C27H26ClNO5/c1-15-4-7-24-21(8-15)19(14-34-24)13-33-20-9-16(2)26(17(3)10-20)27(32)29-23-11-18(12-25(30)31)5-6-22(23)28/h4-11,19H,12-14H2,1-3H3,(H,29,32)(H,30,31)/t19-/m1/s1
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| InChIKey |
NXTVJLPVVYHNJC-LJQANCHMSA-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: PT02279, Prostacyclin receptor
Protein ID: PT02987, Prostaglandin D2 receptor